1-amino-2-methyloctane-4-sulfonamide

C9H22N2O2S — CID 57090687

IUPAC1-amino-2-methyloctane-4-sulfonamide
SMILESCCCCC(CC(C)CN)S(N)(=O)=O
InChIInChI=1S/C9H22N2O2S/c1-3-4-5-9(14(11,12)13)6-8(2)7-10/h8-9H,3-7,10H2,1-2H3,(H2,11,12,13)
InChIKeyLKLKLSUNGUKFIS-UHFFFAOYSA-N
MW222.35 g/mol
LogP0.82
Rot. Bonds7

About 1-amino-2-methyloctane-4-sulfonamide

1-amino-2-methyloctane-4-sulfonamide (PubChem CID 57090687) has the molecular formula C9H22N2O2S and a molecular weight of 222.35 g/mol. Its IUPAC name is 1-amino-2-methyloctane-4-sulfonamide.

Molecular Properties

Compound Name1-amino-2-methyloctane-4-sulfonamide
PubChem CID57090687
Molecular FormulaC9H22N2O2S
Molecular Weight222.35 g/mol
Exact Mass222.14
IUPAC Name1-amino-2-methyloctane-4-sulfonamide
SMILESCCCCC(CC(C)CN)S(N)(=O)=O
InChIInChI=1S/C9H22N2O2S/c1-3-4-5-9(14(11,12)13)6-8(2)7-10/h8-9H,3-7,10H2,1-2H3,(H2,11,12,13)
InChIKeyLKLKLSUNGUKFIS-UHFFFAOYSA-N
XLogP0.82
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.35
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(12-aminododecyl)hexadecane-1-sulfonamide
CID 16109577
N-[6-(2,2-difluorocyclopropyl)hexyl]ethanesulfonamide
CID 178258199
N-nonylpropane-1-sulfonamide
CID 47071850
(3R,4S)-3-butyl-4-(2-methylpropyl)thiazetidine 1,1-dioxide
CID 101744742
N-(cyclohexylmethyl)butane-1-sulfonamide
CID 19684283
N-(5-methylhexan-2-yl)propane-2-sulfonamide
CID 61361229
N-(6-methylheptan-2-yl)methanesulfonamide
CID 2916151
N-decylethanesulfonamide
CID 4097408
N-nonylethanesulfonamide
CID 4150370
N-octylethanesulfonamide
CID 4277676
N-undecylethanesulfonamide
CID 4619558
N-(cyclohexylmethyl)ethanesulfonamide
CID 6466313

Frequently Asked Questions

What is the IUPAC name of 1-amino-2-methyloctane-4-sulfonamide?
The IUPAC name of 1-amino-2-methyloctane-4-sulfonamide (CID 57090687) is 1-amino-2-methyloctane-4-sulfonamide.
What is the SMILES notation for 1-amino-2-methyloctane-4-sulfonamide?
The canonical SMILES for 1-amino-2-methyloctane-4-sulfonamide is CCCCC(CC(C)CN)S(N)(=O)=O.
What is the InChIKey of 1-amino-2-methyloctane-4-sulfonamide?
The InChIKey is LKLKLSUNGUKFIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22N2O2S/c1-3-4-5-9(14(11,12)13)6-8(2)7-10/h8-9H,3-7,10H2,1-2H3,(H2,11,12,13).
What are the key properties of 1-amino-2-methyloctane-4-sulfonamide?
1-amino-2-methyloctane-4-sulfonamide has a molecular weight of 222.35 g/mol, XLogP of 0.82, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-methyloctane-4-sulfonamide is sourced from PubChem (CID 57090687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).