3-amino-N-[2-(cyclopropylmethylsulfonyl)ethyl]butanamide;hydrochloride

C10H21ClN2O3S — CID 119822651

IUPAC3-amino-N-[2-(cyclopropylmethylsulfonyl)ethyl]butanamide;hydrochloride
SMILESCC(N)CC(=O)NCCS(=O)(=O)CC1CC1.Cl
InChIInChI=1S/C10H20N2O3S.ClH/c1-8(11)6-10(13)12-4-5-16(14,15)7-9-2-3-9;/h8-9H,2-7,11H2,1H3,(H,12,13);1H
InChIKeyFRFLCPQEVWPQGJ-UHFFFAOYSA-N
MW284.81 g/mol
LogP0.09
Rot. Bonds7

About 3-amino-N-[2-(cyclopropylmethylsulfonyl)ethyl]butanamide;hydrochloride

3-amino-N-[2-(cyclopropylmethylsulfonyl)ethyl]butanamide;hydrochloride (PubChem CID 119822651) has the molecular formula C10H21ClN2O3S and a molecular weight of 284.81 g/mol. Its IUPAC name is 3-amino-N-[2-(cyclopropylmethylsulfonyl)ethyl]butanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[2-(cyclopropylmethylsulfonyl)ethyl]butanamide;hydrochloride
PubChem CID119822651
Molecular FormulaC10H21ClN2O3S
Molecular Weight284.81 g/mol
Exact Mass284.10
IUPAC Name3-amino-N-[2-(cyclopropylmethylsulfonyl)ethyl]butanamide;hydrochloride
SMILESCC(N)CC(=O)NCCS(=O)(=O)CC1CC1.Cl
InChIInChI=1S/C10H20N2O3S.ClH/c1-8(11)6-10(13)12-4-5-16(14,15)7-9-2-3-9;/h8-9H,2-7,11H2,1H3,(H,12,13);1H
InChIKeyFRFLCPQEVWPQGJ-UHFFFAOYSA-N
XLogP0.09
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.81
LogP ≤ 50.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-amino-N-[2-(cyclopropylmethylsulfonyl)ethyl]butanamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-amino-N-(2-ethylsulfonylethyl)butanamide
CID 103810382
3-amino-N-(3-cyclopropylpropyl)butanamide
CID 115740565
3-amino-N-(2-cyclohexylethyl)butanamide;hydrochloride
CID 119725742
3-amino-N-[(4-methoxycyclohexyl)methyl]butanamide;hydrochloride
CID 119790794
3-amino-N-[2-(2-methylcyclohexyl)ethyl]butanamide;hydrochloride
CID 119783145
3-amino-N-[2-(4-fluorophenyl)sulfonylethyl]butanamide;hydrochloride
CID 119814314
3-amino-N-[3-(cyclohexylamino)-3-oxopropyl]butanamide;hydrochloride
CID 119741948
3-amino-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]butanamide
CID 65118910
N-[2-(cyclopentylmethylsulfonyl)ethyl]propan-2-amine
CID 64676476
3-amino-N-(2-cyclohexyloxyethyl)butanamide
CID 63828834
N-(2-ethylsulfonylethyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119773434
3-amino-N-[2-(4-tert-butylphenyl)sulfonylethyl]butanamide
CID 119778978

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(cyclopropylmethylsulfonyl)ethyl]butanamide;hydrochloride?
The IUPAC name of 3-amino-N-[2-(cyclopropylmethylsulfonyl)ethyl]butanamide;hydrochloride (CID 119822651) is 3-amino-N-[2-(cyclopropylmethylsulfonyl)ethyl]butanamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[2-(cyclopropylmethylsulfonyl)ethyl]butanamide;hydrochloride?
The canonical SMILES for 3-amino-N-[2-(cyclopropylmethylsulfonyl)ethyl]butanamide;hydrochloride is CC(N)CC(=O)NCCS(=O)(=O)CC1CC1.Cl.
What is the InChIKey of 3-amino-N-[2-(cyclopropylmethylsulfonyl)ethyl]butanamide;hydrochloride?
The InChIKey is FRFLCPQEVWPQGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3S.ClH/c1-8(11)6-10(13)12-4-5-16(14,15)7-9-2-3-9;/h8-9H,2-7,11H2,1H3,(H,12,13);1H.
What are the key properties of 3-amino-N-[2-(cyclopropylmethylsulfonyl)ethyl]butanamide;hydrochloride?
3-amino-N-[2-(cyclopropylmethylsulfonyl)ethyl]butanamide;hydrochloride has a molecular weight of 284.81 g/mol, XLogP of 0.09, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(cyclopropylmethylsulfonyl)ethyl]butanamide;hydrochloride is sourced from PubChem (CID 119822651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).