(2S)-2-[4-(dimethylsulfamoyl)piperazin-1-yl]propanamide

C9H20N4O3S — CID 34783929

IUPAC(2S)-2-[4-(dimethylsulfamoyl)piperazin-1-yl]propanamide
SMILESC[C@@H](C(N)=O)N1CCN(S(=O)(=O)N(C)C)CC1
InChIInChI=1S/C9H20N4O3S/c1-8(9(10)14)12-4-6-13(7-5-12)17(15,16)11(2)3/h8H,4-7H2,1-3H3,(H2,10,14)/t8-/m0/s1
InChIKeyXMRVZFMCSLKFAN-QMMMGPOBSA-N
MW264.35 g/mol
LogP-1.72
Rot. Bonds4

About (2S)-2-[4-(dimethylsulfamoyl)piperazin-1-yl]propanamide

(2S)-2-[4-(dimethylsulfamoyl)piperazin-1-yl]propanamide (PubChem CID 34783929) has the molecular formula C9H20N4O3S and a molecular weight of 264.35 g/mol. Its IUPAC name is (2S)-2-[4-(dimethylsulfamoyl)piperazin-1-yl]propanamide.

Molecular Properties

Compound Name(2S)-2-[4-(dimethylsulfamoyl)piperazin-1-yl]propanamide
PubChem CID34783929
Molecular FormulaC9H20N4O3S
Molecular Weight264.35 g/mol
Exact Mass264.13
IUPAC Name(2S)-2-[4-(dimethylsulfamoyl)piperazin-1-yl]propanamide
SMILESC[C@@H](C(N)=O)N1CCN(S(=O)(=O)N(C)C)CC1
InChIInChI=1S/C9H20N4O3S/c1-8(9(10)14)12-4-6-13(7-5-12)17(15,16)11(2)3/h8H,4-7H2,1-3H3,(H2,10,14)/t8-/m0/s1
InChIKeyXMRVZFMCSLKFAN-QMMMGPOBSA-N
XLogP-1.72
TPSA86.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 5-1.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[4-(dimethylsulfamoyl)piperazin-1-yl]propanamide?
The IUPAC name of (2S)-2-[4-(dimethylsulfamoyl)piperazin-1-yl]propanamide (CID 34783929) is (2S)-2-[4-(dimethylsulfamoyl)piperazin-1-yl]propanamide.
What is the SMILES notation for (2S)-2-[4-(dimethylsulfamoyl)piperazin-1-yl]propanamide?
The canonical SMILES for (2S)-2-[4-(dimethylsulfamoyl)piperazin-1-yl]propanamide is C[C@@H](C(N)=O)N1CCN(S(=O)(=O)N(C)C)CC1.
What is the InChIKey of (2S)-2-[4-(dimethylsulfamoyl)piperazin-1-yl]propanamide?
The InChIKey is XMRVZFMCSLKFAN-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H20N4O3S/c1-8(9(10)14)12-4-6-13(7-5-12)17(15,16)11(2)3/h8H,4-7H2,1-3H3,(H2,10,14)/t8-/m0/s1.
What are the key properties of (2S)-2-[4-(dimethylsulfamoyl)piperazin-1-yl]propanamide?
(2S)-2-[4-(dimethylsulfamoyl)piperazin-1-yl]propanamide has a molecular weight of 264.35 g/mol, XLogP of -1.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[4-(dimethylsulfamoyl)piperazin-1-yl]propanamide is sourced from PubChem (CID 34783929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).