N-[(2S)-6-amino-1-hydroxyhexan-2-yl]-4-methoxy-N-(2-methylpropyl)benzenesulfonamide

C17H30N2O4S — CID 67531312

IUPACN-[(2S)-6-amino-1-hydroxyhexan-2-yl]-4-methoxy-N-(2-methylpropyl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N(CC(C)C)[C@H](CO)CCCCN)cc1
InChIInChI=1S/C17H30N2O4S/c1-14(2)12-19(15(13-20)6-4-5-11-18)24(21,22)17-9-7-16(23-3)8-10-17/h7-10,14-15,20H,4-6,11-13,18H2,1-3H3/t15-/m0/s1
InChIKeyHLWWJQCFMSSSLF-HNNXBMFYSA-N
MW358.50 g/mol
LogP1.83
Rot. Bonds11

About N-[(2S)-6-amino-1-hydroxyhexan-2-yl]-4-methoxy-N-(2-methylpropyl)benzenesulfonamide

N-[(2S)-6-amino-1-hydroxyhexan-2-yl]-4-methoxy-N-(2-methylpropyl)benzenesulfonamide (PubChem CID 67531312) has the molecular formula C17H30N2O4S and a molecular weight of 358.50 g/mol. Its IUPAC name is N-[(2S)-6-amino-1-hydroxyhexan-2-yl]-4-methoxy-N-(2-methylpropyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[(2S)-6-amino-1-hydroxyhexan-2-yl]-4-methoxy-N-(2-methylpropyl)benzenesulfonamide
PubChem CID67531312
Molecular FormulaC17H30N2O4S
Molecular Weight358.50 g/mol
Exact Mass358.19
IUPAC NameN-[(2S)-6-amino-1-hydroxyhexan-2-yl]-4-methoxy-N-(2-methylpropyl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N(CC(C)C)[C@H](CO)CCCCN)cc1
InChIInChI=1S/C17H30N2O4S/c1-14(2)12-19(15(13-20)6-4-5-11-18)24(21,22)17-9-7-16(23-3)8-10-17/h7-10,14-15,20H,4-6,11-13,18H2,1-3H3/t15-/m0/s1
InChIKeyHLWWJQCFMSSSLF-HNNXBMFYSA-N
XLogP1.83
TPSA92.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.50
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(6-amino-1-hydroxyhexan-2-yl)-4-cyano-N-(2-methylpropyl)benzenesulfonamide
CID 18009004
4-amino-N-(6-amino-1-hydroxyhexan-2-yl)-3-chloro-N-(2-methylpropyl)benzenesulfonamide
CID 18009008
[1-[[5-[(4-aminophenyl)sulfonyl-(2-methylpropyl)amino]-6-hydroxyhexyl]amino]-3-[2-(4-methoxyphenyl)phenyl]-1-oxopropan-2-yl]carbamic acid
CID 18009071
methyl N-[(2S)-1-[[5-[(4-aminophenyl)sulfonyl-(2-methylpropyl)amino]-6-hydroxyhexyl]amino]-3-[2-(4-methoxyphenyl)phenyl]-1-oxopropan-2-yl]carbamate
CID 67531756
N-[(5S)-5-[(4-aminophenyl)sulfonyl-(2-methylpropyl)amino]-6-hydroxyhexyl]-3-(2,4-dimethoxyphenyl)propanamide;formaldehyde
CID 142084708
[6-amino-2-[(4-aminophenyl)sulfonyl-(2-methylpropyl)amino]hexyl] diethyl phosphate
CID 66790845
[1-[[4-[(4-aminophenyl)sulfonyl-(2-methylpropyl)amino]-5-hydroxypentyl]amino]-3-[2-(4-methoxyphenyl)phenyl]-1-oxopropan-2-yl]carbamic acid
CID 18009099
(2S)-N-[(4S)-4-[(4-aminophenyl)sulfonyl-(2-methylpropyl)amino]-5-hydroxypentyl]-2-[[2-(4-methoxyphenyl)acetyl]amino]-3-naphthalen-1-ylpropanamide
CID 513927
N-benzyl-N-(1-hydroxy-4-methylpentan-2-yl)-4-methoxybenzenesulfonamide
CID 22711666
[4-[[1-hydroxy-6-(3-naphthalen-1-ylpropanoylamino)hexan-2-yl]-(2-methylpropyl)sulfamoyl]phenyl] carbamate
CID 18009094
N-[(3S)-7-amino-2-oxoheptan-3-yl]-N-(2-methylpropyl)benzenesulfonamide
CID 59412122
tert-butyl N-[(5S)-5-[benzenesulfonyl(2-methylpropyl)amino]-6-hydroxyhexyl]carbamate
CID 91351823

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-6-amino-1-hydroxyhexan-2-yl]-4-methoxy-N-(2-methylpropyl)benzenesulfonamide?
The IUPAC name of N-[(2S)-6-amino-1-hydroxyhexan-2-yl]-4-methoxy-N-(2-methylpropyl)benzenesulfonamide (CID 67531312) is N-[(2S)-6-amino-1-hydroxyhexan-2-yl]-4-methoxy-N-(2-methylpropyl)benzenesulfonamide.
What is the SMILES notation for N-[(2S)-6-amino-1-hydroxyhexan-2-yl]-4-methoxy-N-(2-methylpropyl)benzenesulfonamide?
The canonical SMILES for N-[(2S)-6-amino-1-hydroxyhexan-2-yl]-4-methoxy-N-(2-methylpropyl)benzenesulfonamide is COc1ccc(S(=O)(=O)N(CC(C)C)[C@H](CO)CCCCN)cc1.
What is the InChIKey of N-[(2S)-6-amino-1-hydroxyhexan-2-yl]-4-methoxy-N-(2-methylpropyl)benzenesulfonamide?
The InChIKey is HLWWJQCFMSSSLF-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H30N2O4S/c1-14(2)12-19(15(13-20)6-4-5-11-18)24(21,22)17-9-7-16(23-3)8-10-17/h7-10,14-15,20H,4-6,11-13,18H2,1-3H3/t15-/m0/s1.
What are the key properties of N-[(2S)-6-amino-1-hydroxyhexan-2-yl]-4-methoxy-N-(2-methylpropyl)benzenesulfonamide?
N-[(2S)-6-amino-1-hydroxyhexan-2-yl]-4-methoxy-N-(2-methylpropyl)benzenesulfonamide has a molecular weight of 358.50 g/mol, XLogP of 1.83, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-6-amino-1-hydroxyhexan-2-yl]-4-methoxy-N-(2-methylpropyl)benzenesulfonamide is sourced from PubChem (CID 67531312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).