N-(1-amino-4,4-dimethylpentan-3-yl)-4-propylbenzenesulfonamide

C16H28N2O2S — CID 106357501

IUPACN-(1-amino-4,4-dimethylpentan-3-yl)-4-propylbenzenesulfonamide
SMILESCCCc1ccc(S(=O)(=O)NC(CCN)C(C)(C)C)cc1
InChIInChI=1S/C16H28N2O2S/c1-5-6-13-7-9-14(10-8-13)21(19,20)18-15(11-12-17)16(2,3)4/h7-10,15,18H,5-6,11-12,17H2,1-4H3
InChIKeyPXRIDOFXMBNXPR-UHFFFAOYSA-N
MW312.48 g/mol
LogP2.68
Rot. Bonds7

About N-(1-amino-4,4-dimethylpentan-3-yl)-4-propylbenzenesulfonamide

N-(1-amino-4,4-dimethylpentan-3-yl)-4-propylbenzenesulfonamide (PubChem CID 106357501) has the molecular formula C16H28N2O2S and a molecular weight of 312.48 g/mol. Its IUPAC name is N-(1-amino-4,4-dimethylpentan-3-yl)-4-propylbenzenesulfonamide.

Molecular Properties

Compound NameN-(1-amino-4,4-dimethylpentan-3-yl)-4-propylbenzenesulfonamide
PubChem CID106357501
Molecular FormulaC16H28N2O2S
Molecular Weight312.48 g/mol
Exact Mass312.19
IUPAC NameN-(1-amino-4,4-dimethylpentan-3-yl)-4-propylbenzenesulfonamide
SMILESCCCc1ccc(S(=O)(=O)NC(CCN)C(C)(C)C)cc1
InChIInChI=1S/C16H28N2O2S/c1-5-6-13-7-9-14(10-8-13)21(19,20)18-15(11-12-17)16(2,3)4/h7-10,15,18H,5-6,11-12,17H2,1-4H3
InChIKeyPXRIDOFXMBNXPR-UHFFFAOYSA-N
XLogP2.68
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.48
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-amino-4,4-dimethylpentan-3-yl)-4-methylbenzenesulfonamide
CID 106357500
4-(bromomethyl)-N-(1-hydroxy-4,4-dimethylpentan-3-yl)benzenesulfonamide
CID 106353477
4-(2-aminoethyl)-N-butan-2-ylbenzenesulfonamide
CID 16643225
N-(1-amino-4,4-dimethylpentan-3-yl)-2-methylbenzenesulfonamide
CID 106357503
N-(3-aminopropyl)-4-propylbenzenesulfonamide
CID 43605819
N-(1-amino-4,4-dimethylpentan-3-yl)-4-fluoro-2-methylbenzenesulfonamide
CID 106357466
1-tert-butylsulfonyl-4-propylbenzene
CID 20680785
N-iodo-4-propylbenzenesulfonamide
CID 143564822
N-(2-methylbutan-2-yl)-4-propylbenzenesulfonamide
CID 19682071
4-(2-aminoethyl)-N-ethylbenzenesulfonamide
CID 16643231
N-[(1S)-1-phenylethyl]-4-propylbenzenesulfonamide
CID 2559624
4-bromo-N-(1-chloro-4,4-dimethylpentan-3-yl)benzenesulfonamide
CID 114178076

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-4,4-dimethylpentan-3-yl)-4-propylbenzenesulfonamide?
The IUPAC name of N-(1-amino-4,4-dimethylpentan-3-yl)-4-propylbenzenesulfonamide (CID 106357501) is N-(1-amino-4,4-dimethylpentan-3-yl)-4-propylbenzenesulfonamide.
What is the SMILES notation for N-(1-amino-4,4-dimethylpentan-3-yl)-4-propylbenzenesulfonamide?
The canonical SMILES for N-(1-amino-4,4-dimethylpentan-3-yl)-4-propylbenzenesulfonamide is CCCc1ccc(S(=O)(=O)NC(CCN)C(C)(C)C)cc1.
What is the InChIKey of N-(1-amino-4,4-dimethylpentan-3-yl)-4-propylbenzenesulfonamide?
The InChIKey is PXRIDOFXMBNXPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O2S/c1-5-6-13-7-9-14(10-8-13)21(19,20)18-15(11-12-17)16(2,3)4/h7-10,15,18H,5-6,11-12,17H2,1-4H3.
What are the key properties of N-(1-amino-4,4-dimethylpentan-3-yl)-4-propylbenzenesulfonamide?
N-(1-amino-4,4-dimethylpentan-3-yl)-4-propylbenzenesulfonamide has a molecular weight of 312.48 g/mol, XLogP of 2.68, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-4,4-dimethylpentan-3-yl)-4-propylbenzenesulfonamide is sourced from PubChem (CID 106357501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).