N-[3-(aminomethyl)pentan-3-yl]propane-1-sulfonamide

C9H22N2O2S — CID 61123363

IUPACN-[3-(aminomethyl)pentan-3-yl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NC(CC)(CC)CN
InChIInChI=1S/C9H22N2O2S/c1-4-7-14(12,13)11-9(5-2,6-3)8-10/h11H,4-8,10H2,1-3H3
InChIKeyXGVVLFJRGSSIPV-UHFFFAOYSA-N
MW222.35 g/mol
LogP0.83
Rot. Bonds7

About N-[3-(aminomethyl)pentan-3-yl]propane-1-sulfonamide

N-[3-(aminomethyl)pentan-3-yl]propane-1-sulfonamide (PubChem CID 61123363) has the molecular formula C9H22N2O2S and a molecular weight of 222.35 g/mol. Its IUPAC name is N-[3-(aminomethyl)pentan-3-yl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[3-(aminomethyl)pentan-3-yl]propane-1-sulfonamide
PubChem CID61123363
Molecular FormulaC9H22N2O2S
Molecular Weight222.35 g/mol
Exact Mass222.14
IUPAC NameN-[3-(aminomethyl)pentan-3-yl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NC(CC)(CC)CN
InChIInChI=1S/C9H22N2O2S/c1-4-7-14(12,13)11-9(5-2,6-3)8-10/h11H,4-8,10H2,1-3H3
InChIKeyXGVVLFJRGSSIPV-UHFFFAOYSA-N
XLogP0.83
TPSA72.19 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 ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(aminomethyl)cyclopentyl]ethanesulfonamide
CID 28940534
N-(2-amino-2-ethylbutyl)-4,4,4-trifluorobutane-1-sulfonamide
CID 83058802
N-[3-(aminomethyl)pentan-3-yl]-4,4,4-trifluorobutane-1-sulfonamide
CID 83067790
N-(1-amino-2-methylbutan-2-yl)-4,4,4-trifluorobutane-1-sulfonamide
CID 83067940
N-(1-amino-3-methylpentan-3-yl)-4,4,4-trifluorobutane-1-sulfonamide
CID 114152600
N-[3-(aminomethyl)pentan-3-yl]-3-fluoropropane-1-sulfonamide
CID 119981132
N-(1-amino-2,4-dimethylpentan-2-yl)-3-fluoropropane-1-sulfonamide
CID 119985002
N-(2-amino-2-ethylbutyl)-3-fluoropropane-1-sulfonamide
CID 119989710
N-(2-amino-2-ethylbutyl)-4,4,4-trifluorobutane-1-sulfonamide;hydrochloride
CID 120875463
N-[3-(aminomethyl)pentan-3-yl]-4,4,4-trifluorobutane-1-sulfonamide;hydrochloride
CID 121606352
2-amino-N-tert-butylethane-1-sulfonamide
CID 12458644
3-amino-N-tert-butylpropane-1-sulfonamide
CID 60909676

Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)pentan-3-yl]propane-1-sulfonamide?
The IUPAC name of N-[3-(aminomethyl)pentan-3-yl]propane-1-sulfonamide (CID 61123363) is N-[3-(aminomethyl)pentan-3-yl]propane-1-sulfonamide.
What is the SMILES notation for N-[3-(aminomethyl)pentan-3-yl]propane-1-sulfonamide?
The canonical SMILES for N-[3-(aminomethyl)pentan-3-yl]propane-1-sulfonamide is CCCS(=O)(=O)NC(CC)(CC)CN.
What is the InChIKey of N-[3-(aminomethyl)pentan-3-yl]propane-1-sulfonamide?
The InChIKey is XGVVLFJRGSSIPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22N2O2S/c1-4-7-14(12,13)11-9(5-2,6-3)8-10/h11H,4-8,10H2,1-3H3.
What are the key properties of N-[3-(aminomethyl)pentan-3-yl]propane-1-sulfonamide?
N-[3-(aminomethyl)pentan-3-yl]propane-1-sulfonamide has a molecular weight of 222.35 g/mol, XLogP of 0.83, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(aminomethyl)pentan-3-yl]propane-1-sulfonamide is sourced from PubChem (CID 61123363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).