N-[1-(aminomethyl)cyclopentyl]-3-methyl-4-propan-2-yloxybenzenesulfonamide

C16H26N2O3S — CID 119980611

IUPACN-[1-(aminomethyl)cyclopentyl]-3-methyl-4-propan-2-yloxybenzenesulfonamide
SMILESCc1cc(S(=O)(=O)NC2(CN)CCCC2)ccc1OC(C)C
InChIInChI=1S/C16H26N2O3S/c1-12(2)21-15-7-6-14(10-13(15)3)22(19,20)18-16(11-17)8-4-5-9-16/h6-7,10,12,18H,4-5,8-9,11,17H2,1-3H3
InChIKeyCKZFSMDSHVRNPN-UHFFFAOYSA-N
MW326.46 g/mol
LogP2.33
Rot. Bonds6

About N-[1-(aminomethyl)cyclopentyl]-3-methyl-4-propan-2-yloxybenzenesulfonamide

N-[1-(aminomethyl)cyclopentyl]-3-methyl-4-propan-2-yloxybenzenesulfonamide (PubChem CID 119980611) has the molecular formula C16H26N2O3S and a molecular weight of 326.46 g/mol. Its IUPAC name is N-[1-(aminomethyl)cyclopentyl]-3-methyl-4-propan-2-yloxybenzenesulfonamide.

Molecular Properties

Compound NameN-[1-(aminomethyl)cyclopentyl]-3-methyl-4-propan-2-yloxybenzenesulfonamide
PubChem CID119980611
Molecular FormulaC16H26N2O3S
Molecular Weight326.46 g/mol
Exact Mass326.17
IUPAC NameN-[1-(aminomethyl)cyclopentyl]-3-methyl-4-propan-2-yloxybenzenesulfonamide
SMILESCc1cc(S(=O)(=O)NC2(CN)CCCC2)ccc1OC(C)C
InChIInChI=1S/C16H26N2O3S/c1-12(2)21-15-7-6-14(10-13(15)3)22(19,20)18-16(11-17)8-4-5-9-16/h6-7,10,12,18H,4-5,8-9,11,17H2,1-3H3
InChIKeyCKZFSMDSHVRNPN-UHFFFAOYSA-N
XLogP2.33
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.46
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(hydroxymethyl)cyclobutyl]-3-methyl-4-propan-2-yloxybenzenesulfonamide
CID 115903060
N-[1-(aminomethyl)cycloheptyl]-3,4-dimethylbenzenesulfonamide
CID 28941372
3-methyl-N-propan-2-yl-4-propan-2-yloxybenzenesulfonamide
CID 60764228
N-(2-aminoethyl)-3-methyl-4-propan-2-yloxybenzenesulfonamide;hydrochloride
CID 119959966
N-ethyl-3-methyl-4-propan-2-yloxybenzenesulfonamide
CID 43258959
N-hydroxy-3-methyl-4-propan-2-yloxybenzenesulfonamide
CID 82294732
3-methyl-N-[(3-methylpiperidin-3-yl)methyl]-4-propan-2-yloxybenzenesulfonamide;hydrochloride
CID 120720689
N-[1-(aminomethyl)cyclopentyl]-4-methoxy-2,5-dimethylbenzenesulfonamide
CID 119980805
ethyl 4-[[1-(aminomethyl)cyclopentyl]sulfamoyl]benzoate
CID 119980917
N-(2-methoxypropyl)-3-methyl-4-propan-2-yloxybenzenesulfonamide
CID 102697438
N-[1-(aminomethyl)cyclopentyl]-4-bromo-3-fluorobenzenesulfonamide
CID 103828999
N-[1-(aminomethyl)cyclopentyl]-3-ethylbenzenesulfonamide
CID 119981024

Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)cyclopentyl]-3-methyl-4-propan-2-yloxybenzenesulfonamide?
The IUPAC name of N-[1-(aminomethyl)cyclopentyl]-3-methyl-4-propan-2-yloxybenzenesulfonamide (CID 119980611) is N-[1-(aminomethyl)cyclopentyl]-3-methyl-4-propan-2-yloxybenzenesulfonamide.
What is the SMILES notation for N-[1-(aminomethyl)cyclopentyl]-3-methyl-4-propan-2-yloxybenzenesulfonamide?
The canonical SMILES for N-[1-(aminomethyl)cyclopentyl]-3-methyl-4-propan-2-yloxybenzenesulfonamide is Cc1cc(S(=O)(=O)NC2(CN)CCCC2)ccc1OC(C)C.
What is the InChIKey of N-[1-(aminomethyl)cyclopentyl]-3-methyl-4-propan-2-yloxybenzenesulfonamide?
The InChIKey is CKZFSMDSHVRNPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3S/c1-12(2)21-15-7-6-14(10-13(15)3)22(19,20)18-16(11-17)8-4-5-9-16/h6-7,10,12,18H,4-5,8-9,11,17H2,1-3H3.
What are the key properties of N-[1-(aminomethyl)cyclopentyl]-3-methyl-4-propan-2-yloxybenzenesulfonamide?
N-[1-(aminomethyl)cyclopentyl]-3-methyl-4-propan-2-yloxybenzenesulfonamide has a molecular weight of 326.46 g/mol, XLogP of 2.33, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)cyclopentyl]-3-methyl-4-propan-2-yloxybenzenesulfonamide is sourced from PubChem (CID 119980611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).