N-(1-aminohexan-2-yl)-1-(4-cyanophenyl)methanesulfonamide

C14H21N3O2S — CID 80697698

IUPACN-(1-aminohexan-2-yl)-1-(4-cyanophenyl)methanesulfonamide
SMILESCCCCC(CN)NS(=O)(=O)Cc1ccc(C#N)cc1
InChIInChI=1S/C14H21N3O2S/c1-2-3-4-14(10-16)17-20(18,19)11-13-7-5-12(9-15)6-8-13/h5-8,14,17H,2-4,10-11,16H2,1H3
InChIKeyKFYUCTFEJYEPQD-UHFFFAOYSA-N
MW295.41 g/mol
LogP1.50
Rot. Bonds8

About N-(1-aminohexan-2-yl)-1-(4-cyanophenyl)methanesulfonamide

N-(1-aminohexan-2-yl)-1-(4-cyanophenyl)methanesulfonamide (PubChem CID 80697698) has the molecular formula C14H21N3O2S and a molecular weight of 295.41 g/mol. Its IUPAC name is N-(1-aminohexan-2-yl)-1-(4-cyanophenyl)methanesulfonamide.

Molecular Properties

Compound NameN-(1-aminohexan-2-yl)-1-(4-cyanophenyl)methanesulfonamide
PubChem CID80697698
Molecular FormulaC14H21N3O2S
Molecular Weight295.41 g/mol
Exact Mass295.14
IUPAC NameN-(1-aminohexan-2-yl)-1-(4-cyanophenyl)methanesulfonamide
SMILESCCCCC(CN)NS(=O)(=O)Cc1ccc(C#N)cc1
InChIInChI=1S/C14H21N3O2S/c1-2-3-4-14(10-16)17-20(18,19)11-13-7-5-12(9-15)6-8-13/h5-8,14,17H,2-4,10-11,16H2,1H3
InChIKeyKFYUCTFEJYEPQD-UHFFFAOYSA-N
XLogP1.50
TPSA95.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.41
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-aminohexan-2-yl)-1-(4-fluorophenyl)methanesulfonamide
CID 80696702
N-(1-aminopropan-2-yl)-1-(4-cyanophenyl)methanesulfonamide
CID 63731343
N-(1-aminohexan-2-yl)-1-(3,5-dichlorophenyl)methanesulfonamide;hydrochloride
CID 119993027
N-(1-aminohexan-2-yl)-2-chloro-4-cyanobenzenesulfonamide;hydrochloride
CID 120875562
N-(1-aminohexan-2-yl)propane-1-sulfonamide;hydrochloride
CID 119993242
N-(1-aminobutan-2-yl)-1-(4-fluorophenyl)methanesulfonamide
CID 65194114
N-(1-aminohexan-2-yl)-2-cyano-3-fluorobenzenesulfonamide
CID 80696719
1-amino-2-(sulfamoylamino)hexane
CID 114959420
4-(2-aminohexyl)benzonitrile
CID 174547393
N-(1-aminohexan-2-yl)-2,2-dimethylpropane-1-sulfonamide
CID 80696971
4-(hexan-3-ylsulfonylmethyl)benzonitrile
CID 122145488
4-(1-aminohexan-2-ylamino)-3,5-difluorobenzonitrile
CID 81294220

Frequently Asked Questions

What is the IUPAC name of N-(1-aminohexan-2-yl)-1-(4-cyanophenyl)methanesulfonamide?
The IUPAC name of N-(1-aminohexan-2-yl)-1-(4-cyanophenyl)methanesulfonamide (CID 80697698) is N-(1-aminohexan-2-yl)-1-(4-cyanophenyl)methanesulfonamide.
What is the SMILES notation for N-(1-aminohexan-2-yl)-1-(4-cyanophenyl)methanesulfonamide?
The canonical SMILES for N-(1-aminohexan-2-yl)-1-(4-cyanophenyl)methanesulfonamide is CCCCC(CN)NS(=O)(=O)Cc1ccc(C#N)cc1.
What is the InChIKey of N-(1-aminohexan-2-yl)-1-(4-cyanophenyl)methanesulfonamide?
The InChIKey is KFYUCTFEJYEPQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2S/c1-2-3-4-14(10-16)17-20(18,19)11-13-7-5-12(9-15)6-8-13/h5-8,14,17H,2-4,10-11,16H2,1H3.
What are the key properties of N-(1-aminohexan-2-yl)-1-(4-cyanophenyl)methanesulfonamide?
N-(1-aminohexan-2-yl)-1-(4-cyanophenyl)methanesulfonamide has a molecular weight of 295.41 g/mol, XLogP of 1.50, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminohexan-2-yl)-1-(4-cyanophenyl)methanesulfonamide is sourced from PubChem (CID 80697698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).