(2R)-2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]propanamide

C13H26N4O3S — CID 41311702

IUPAC(2R)-2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]propanamide
SMILESC[C@H](C(N)=O)N1CCN(S(=O)(=O)N2CCCCCC2)CC1
InChIInChI=1S/C13H26N4O3S/c1-12(13(14)18)15-8-10-17(11-9-15)21(19,20)16-6-4-2-3-5-7-16/h12H,2-11H2,1H3,(H2,14,18)/t12-/m1/s1
InChIKeyPCWMLJLBHFMUEZ-GFCCVEGCSA-N
MW318.44 g/mol
LogP-0.40
Rot. Bonds4

About (2R)-2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]propanamide

(2R)-2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]propanamide (PubChem CID 41311702) has the molecular formula C13H26N4O3S and a molecular weight of 318.44 g/mol. Its IUPAC name is (2R)-2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]propanamide.

Molecular Properties

Compound Name(2R)-2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]propanamide
PubChem CID41311702
Molecular FormulaC13H26N4O3S
Molecular Weight318.44 g/mol
Exact Mass318.17
IUPAC Name(2R)-2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]propanamide
SMILESC[C@H](C(N)=O)N1CCN(S(=O)(=O)N2CCCCCC2)CC1
InChIInChI=1S/C13H26N4O3S/c1-12(13(14)18)15-8-10-17(11-9-15)21(19,20)16-6-4-2-3-5-7-16/h12H,2-11H2,1H3,(H2,14,18)/t12-/m1/s1
InChIKeyPCWMLJLBHFMUEZ-GFCCVEGCSA-N
XLogP-0.40
TPSA86.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
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

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]propanamide?
The IUPAC name of (2R)-2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]propanamide (CID 41311702) is (2R)-2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]propanamide.
What is the SMILES notation for (2R)-2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]propanamide?
The canonical SMILES for (2R)-2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]propanamide is C[C@H](C(N)=O)N1CCN(S(=O)(=O)N2CCCCCC2)CC1.
What is the InChIKey of (2R)-2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]propanamide?
The InChIKey is PCWMLJLBHFMUEZ-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H26N4O3S/c1-12(13(14)18)15-8-10-17(11-9-15)21(19,20)16-6-4-2-3-5-7-16/h12H,2-11H2,1H3,(H2,14,18)/t12-/m1/s1.
What are the key properties of (2R)-2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]propanamide?
(2R)-2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]propanamide has a molecular weight of 318.44 g/mol, XLogP of -0.40, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]propanamide is sourced from PubChem (CID 41311702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).