N-(1-aminohexan-2-yl)-2,2-dimethylpropane-1-sulfonamide

C11H26N2O2S — CID 80696971

IUPACN-(1-aminohexan-2-yl)-2,2-dimethylpropane-1-sulfonamide
SMILESCCCCC(CN)NS(=O)(=O)CC(C)(C)C
InChIInChI=1S/C11H26N2O2S/c1-5-6-7-10(8-12)13-16(14,15)9-11(2,3)4/h10,13H,5-9,12H2,1-4H3
InChIKeyPFILNXBVBGSTJQ-UHFFFAOYSA-N
MW250.41 g/mol
LogP1.47
Rot. Bonds7

About N-(1-aminohexan-2-yl)-2,2-dimethylpropane-1-sulfonamide

N-(1-aminohexan-2-yl)-2,2-dimethylpropane-1-sulfonamide (PubChem CID 80696971) has the molecular formula C11H26N2O2S and a molecular weight of 250.41 g/mol. Its IUPAC name is N-(1-aminohexan-2-yl)-2,2-dimethylpropane-1-sulfonamide.

Molecular Properties

Compound NameN-(1-aminohexan-2-yl)-2,2-dimethylpropane-1-sulfonamide
PubChem CID80696971
Molecular FormulaC11H26N2O2S
Molecular Weight250.41 g/mol
Exact Mass250.17
IUPAC NameN-(1-aminohexan-2-yl)-2,2-dimethylpropane-1-sulfonamide
SMILESCCCCC(CN)NS(=O)(=O)CC(C)(C)C
InChIInChI=1S/C11H26N2O2S/c1-5-6-7-10(8-12)13-16(14,15)9-11(2,3)4/h10,13H,5-9,12H2,1-4H3
InChIKeyPFILNXBVBGSTJQ-UHFFFAOYSA-N
XLogP1.47
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.41
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-aminohexan-2-yl)propane-1-sulfonamide;hydrochloride
CID 119993242
N-(1-aminohexan-2-yl)-2-methylbutane-1-sulfonamide;hydrochloride
CID 119993260
1-amino-2-(sulfamoylamino)hexane
CID 114959420
2-(1-aminohexan-2-ylsulfamoyl)acetic acid
CID 80698128
N-(1-aminohexan-2-yl)-2-ethylbutane-1-sulfonamide;hydrochloride
CID 119993074
2-N-(propan-2-ylsulfamoyl)hexane-1,2-diamine;hydrochloride
CID 120875561
1-amino-2-(dipropylsulfamoylamino)hexane
CID 80696553
N-(1-aminohexan-2-yl)-4-tert-butylbenzenesulfonamide
CID 80697930
N-(1-aminohexan-2-yl)-1-(4-fluorophenyl)methanesulfonamide
CID 80696702
N-(1-aminopentan-2-yl)-3-methylbutane-1-sulfonamide
CID 63834752
N-(1-aminohexan-2-yl)-1-(3,5-dichlorophenyl)methanesulfonamide;hydrochloride
CID 119993027
N-(1-aminohexan-2-yl)-4-methylbenzenesulfonamide;hydrochloride
CID 119992961

Frequently Asked Questions

What is the IUPAC name of N-(1-aminohexan-2-yl)-2,2-dimethylpropane-1-sulfonamide?
The IUPAC name of N-(1-aminohexan-2-yl)-2,2-dimethylpropane-1-sulfonamide (CID 80696971) is N-(1-aminohexan-2-yl)-2,2-dimethylpropane-1-sulfonamide.
What is the SMILES notation for N-(1-aminohexan-2-yl)-2,2-dimethylpropane-1-sulfonamide?
The canonical SMILES for N-(1-aminohexan-2-yl)-2,2-dimethylpropane-1-sulfonamide is CCCCC(CN)NS(=O)(=O)CC(C)(C)C.
What is the InChIKey of N-(1-aminohexan-2-yl)-2,2-dimethylpropane-1-sulfonamide?
The InChIKey is PFILNXBVBGSTJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N2O2S/c1-5-6-7-10(8-12)13-16(14,15)9-11(2,3)4/h10,13H,5-9,12H2,1-4H3.
What are the key properties of N-(1-aminohexan-2-yl)-2,2-dimethylpropane-1-sulfonamide?
N-(1-aminohexan-2-yl)-2,2-dimethylpropane-1-sulfonamide has a molecular weight of 250.41 g/mol, XLogP of 1.47, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminohexan-2-yl)-2,2-dimethylpropane-1-sulfonamide is sourced from PubChem (CID 80696971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).