3-amino-N-(cyclopropylmethyl)propane-1-sulfonamide

C7H16N2O2S — CID 60909819

IUPAC3-amino-N-(cyclopropylmethyl)propane-1-sulfonamide
SMILESNCCCS(=O)(=O)NCC1CC1
InChIInChI=1S/C7H16N2O2S/c8-4-1-5-12(10,11)9-6-7-2-3-7/h7,9H,1-6,8H2
InChIKeyAKJXGHQHVKPSNG-UHFFFAOYSA-N
MW192.28 g/mol
LogP-0.34
Rot. Bonds6

About 3-amino-N-(cyclopropylmethyl)propane-1-sulfonamide

3-amino-N-(cyclopropylmethyl)propane-1-sulfonamide (PubChem CID 60909819) has the molecular formula C7H16N2O2S and a molecular weight of 192.28 g/mol. Its IUPAC name is 3-amino-N-(cyclopropylmethyl)propane-1-sulfonamide.

Molecular Properties

Compound Name3-amino-N-(cyclopropylmethyl)propane-1-sulfonamide
PubChem CID60909819
Molecular FormulaC7H16N2O2S
Molecular Weight192.28 g/mol
Exact Mass192.09
IUPAC Name3-amino-N-(cyclopropylmethyl)propane-1-sulfonamide
SMILESNCCCS(=O)(=O)NCC1CC1
InChIInChI=1S/C7H16N2O2S/c8-4-1-5-12(10,11)9-6-7-2-3-7/h7,9H,1-6,8H2
InChIKeyAKJXGHQHVKPSNG-UHFFFAOYSA-N
XLogP-0.34
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.28
LogP ≤ 5-0.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[(1-ethylpyrrolidin-3-yl)methyl]propane-1-sulfonamide
CID 60910513
4-cyano-N-(cyclopropylmethyl)butane-1-sulfonamide
CID 56541451
N-[(4-bromocyclohexyl)methyl]-3-methoxypropane-1-sulfonamide
CID 106136142
N-[(4-ethylcyclohexyl)methyl]-4-(propylamino)butane-1-sulfonamide
CID 106012793
N-(3-aminopropyl)-1-cyclopropylmethanesulfonamide
CID 64990338
3-(methylamino)-N-(thian-4-ylmethyl)propane-1-sulfonamide
CID 106078594
N-(cyclohexylmethyl)-3-(ethylamino)propane-1-sulfonamide
CID 106027864
3-amino-N-hydroxypropane-1-sulfonamide;hydrobromide
CID 45260204
1-(aminomethyl)-4-[(sulfamoylamino)methyl]cyclohexane
CID 123446235
N-[(3-aminocyclopentyl)methyl]-2-methylsulfonylethanesulfonamide
CID 114146780
N-(4-aminobutyl)-1-cyclopropylmethanesulfonamide;hydrochloride
CID 120583339
3-amino-N-(2-methoxypropyl)propane-1-sulfonamide
CID 102697740

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(cyclopropylmethyl)propane-1-sulfonamide?
The IUPAC name of 3-amino-N-(cyclopropylmethyl)propane-1-sulfonamide (CID 60909819) is 3-amino-N-(cyclopropylmethyl)propane-1-sulfonamide.
What is the SMILES notation for 3-amino-N-(cyclopropylmethyl)propane-1-sulfonamide?
The canonical SMILES for 3-amino-N-(cyclopropylmethyl)propane-1-sulfonamide is NCCCS(=O)(=O)NCC1CC1.
What is the InChIKey of 3-amino-N-(cyclopropylmethyl)propane-1-sulfonamide?
The InChIKey is AKJXGHQHVKPSNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O2S/c8-4-1-5-12(10,11)9-6-7-2-3-7/h7,9H,1-6,8H2.
What are the key properties of 3-amino-N-(cyclopropylmethyl)propane-1-sulfonamide?
3-amino-N-(cyclopropylmethyl)propane-1-sulfonamide has a molecular weight of 192.28 g/mol, XLogP of -0.34, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(cyclopropylmethyl)propane-1-sulfonamide is sourced from PubChem (CID 60909819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).