2-(3-aminobutylsulfinyl)-N-cyclopropylacetamide

C9H18N2O2S — CID 81194624

IUPAC2-(3-aminobutylsulfinyl)-N-cyclopropylacetamide
SMILESCC(N)CCS(=O)CC(=O)NC1CC1
InChIInChI=1S/C9H18N2O2S/c1-7(10)4-5-14(13)6-9(12)11-8-2-3-8/h7-8H,2-6,10H2,1H3,(H,11,12)
InChIKeyIPGRSPPQFVDBMJ-UHFFFAOYSA-N
MW218.32 g/mol
LogP-0.25
Rot. Bonds6

About 2-(3-aminobutylsulfinyl)-N-cyclopropylacetamide

2-(3-aminobutylsulfinyl)-N-cyclopropylacetamide (PubChem CID 81194624) has the molecular formula C9H18N2O2S and a molecular weight of 218.32 g/mol. Its IUPAC name is 2-(3-aminobutylsulfinyl)-N-cyclopropylacetamide.

Molecular Properties

Compound Name2-(3-aminobutylsulfinyl)-N-cyclopropylacetamide
PubChem CID81194624
Molecular FormulaC9H18N2O2S
Molecular Weight218.32 g/mol
Exact Mass218.11
IUPAC Name2-(3-aminobutylsulfinyl)-N-cyclopropylacetamide
SMILESCC(N)CCS(=O)CC(=O)NC1CC1
InChIInChI=1S/C9H18N2O2S/c1-7(10)4-5-14(13)6-9(12)11-8-2-3-8/h7-8H,2-6,10H2,1H3,(H,11,12)
InChIKeyIPGRSPPQFVDBMJ-UHFFFAOYSA-N
XLogP-0.25
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.32
LogP ≤ 5-0.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-amino-N-cyclopropylhexanamide
CID 82848782
2-[2-(cyclopropylamino)-2-oxoethyl]sulfinylpropanoic acid
CID 60982234
2-(3-aminobutylsulfanyl)-N-cyclopropylacetamide
CID 66234862
4-amino-N-(4-ethylcyclohexyl)pentanamide;hydrochloride
CID 120560101
ethyl 5-[2-(cyclopropylamino)-2-oxoethyl]sulfinyl-4-oxopentanoate
CID 114233111
5-amino-N-[2-(cyclopropylamino)-2-oxoethyl]hexanamide
CID 82848963
3-amino-N-(4-methylcyclohexyl)butanamide
CID 60835833
4-(5-aminohexanoylamino)cyclohexane-1-carboxylic acid
CID 82852110
3-[2-(cyclohexylamino)-2-oxoethyl]sulfinylpropanoic acid
CID 55025301
(3S)-3-amino-N-cyclobutylbutanamide
CID 94423965
2-(3-aminobutylsulfanyl)-N-cycloheptylacetamide
CID 66232120
2-(3-aminobutylsulfonyl)-N-cyclopropylpropanamide
CID 81194493

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminobutylsulfinyl)-N-cyclopropylacetamide?
The IUPAC name of 2-(3-aminobutylsulfinyl)-N-cyclopropylacetamide (CID 81194624) is 2-(3-aminobutylsulfinyl)-N-cyclopropylacetamide.
What is the SMILES notation for 2-(3-aminobutylsulfinyl)-N-cyclopropylacetamide?
The canonical SMILES for 2-(3-aminobutylsulfinyl)-N-cyclopropylacetamide is CC(N)CCS(=O)CC(=O)NC1CC1.
What is the InChIKey of 2-(3-aminobutylsulfinyl)-N-cyclopropylacetamide?
The InChIKey is IPGRSPPQFVDBMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2S/c1-7(10)4-5-14(13)6-9(12)11-8-2-3-8/h7-8H,2-6,10H2,1H3,(H,11,12).
What are the key properties of 2-(3-aminobutylsulfinyl)-N-cyclopropylacetamide?
2-(3-aminobutylsulfinyl)-N-cyclopropylacetamide has a molecular weight of 218.32 g/mol, XLogP of -0.25, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminobutylsulfinyl)-N-cyclopropylacetamide is sourced from PubChem (CID 81194624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).