(2R)-2-amino-1-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]propan-1-one

C13H26N4O3S — CID 119276358

IUPAC(2R)-2-amino-1-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]propan-1-one
SMILESC[C@@H](N)C(=O)N1CCN(S(=O)(=O)N2CCCCCC2)CC1
InChIInChI=1S/C13H26N4O3S/c1-12(14)13(18)15-8-10-17(11-9-15)21(19,20)16-6-4-2-3-5-7-16/h12H,2-11,14H2,1H3/t12-/m1/s1
InChIKeyPDWIHHDVZWXBHZ-GFCCVEGCSA-N
MW318.44 g/mol
LogP-0.40
Rot. Bonds3

About (2R)-2-amino-1-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]propan-1-one

(2R)-2-amino-1-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]propan-1-one (PubChem CID 119276358) has the molecular formula C13H26N4O3S and a molecular weight of 318.44 g/mol. Its IUPAC name is (2R)-2-amino-1-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name(2R)-2-amino-1-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]propan-1-one
PubChem CID119276358
Molecular FormulaC13H26N4O3S
Molecular Weight318.44 g/mol
Exact Mass318.17
IUPAC Name(2R)-2-amino-1-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]propan-1-one
SMILESC[C@@H](N)C(=O)N1CCN(S(=O)(=O)N2CCCCCC2)CC1
InChIInChI=1S/C13H26N4O3S/c1-12(14)13(18)15-8-10-17(11-9-15)21(19,20)16-6-4-2-3-5-7-16/h12H,2-11,14H2,1H3/t12-/m1/s1
InChIKeyPDWIHHDVZWXBHZ-GFCCVEGCSA-N
XLogP-0.40
TPSA86.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.44
LogP ≤ 5-0.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2R)-2-amino-1-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]propan-1-one 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

2-amino-1-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-2-(oxan-4-yl)ethanone
CID 120785200
4-(2-aminopropanoyl)-N-cyclohexyl-N-methylpiperazine-1-sulfonamide
CID 119292580
2-amino-1-(azetidin-1-yl)propan-1-one;hydrochloride
CID 53484454
(2S)-2-amino-1-(azetidin-1-yl)propan-1-one;hydrochloride
CID 53484456
(2S)-2-amino-1-(4-chloropiperidin-1-yl)propan-1-one
CID 66564392
1-(4-piperidin-1-ylsulfonylpiperazin-1-yl)sulfonylazepane
CID 2238490
(2R)-2-amino-1-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]propan-1-one
CID 119269678
2-amino-1-(4-pyrrolidin-1-ylpiperidin-1-yl)propan-1-one
CID 61041479
(2R)-2-amino-1-(4-methylpiperazin-1-yl)propan-1-one;hydrochloride
CID 156637210
(2R)-2-amino-1-(4-methylpiperazin-1-yl)propan-1-one;dihydrochloride
CID 122361126
(2R)-2-amino-1-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]propan-1-one;hydrochloride
CID 119274736
(2S)-2-amino-1-(4-methyl-1,4-diazepan-1-yl)propan-1-one
CID 28745499

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-1-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]propan-1-one?
The IUPAC name of (2R)-2-amino-1-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]propan-1-one (CID 119276358) is (2R)-2-amino-1-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]propan-1-one.
What is the SMILES notation for (2R)-2-amino-1-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]propan-1-one?
The canonical SMILES for (2R)-2-amino-1-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]propan-1-one is C[C@@H](N)C(=O)N1CCN(S(=O)(=O)N2CCCCCC2)CC1.
What is the InChIKey of (2R)-2-amino-1-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]propan-1-one?
The InChIKey is PDWIHHDVZWXBHZ-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H26N4O3S/c1-12(14)13(18)15-8-10-17(11-9-15)21(19,20)16-6-4-2-3-5-7-16/h12H,2-11,14H2,1H3/t12-/m1/s1.
What are the key properties of (2R)-2-amino-1-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]propan-1-one?
(2R)-2-amino-1-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]propan-1-one has a molecular weight of 318.44 g/mol, XLogP of -0.40, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-1-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]propan-1-one is sourced from PubChem (CID 119276358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).