(2R)-2-amino-1-[4-(1,2-dimethylimidazol-4-yl)sulfonylpiperazin-1-yl]propan-1-one

C12H21N5O3S — CID 120873149

IUPAC(2R)-2-amino-1-[4-(1,2-dimethylimidazol-4-yl)sulfonylpiperazin-1-yl]propan-1-one
SMILESCc1nc(S(=O)(=O)N2CCN(C(=O)[C@@H](C)N)CC2)cn1C
InChIInChI=1S/C12H21N5O3S/c1-9(13)12(18)16-4-6-17(7-5-16)21(19,20)11-8-15(3)10(2)14-11/h8-9H,4-7,13H2,1-3H3/t9-/m1/s1
InChIKeyHDKAQIQGGLKMAN-SECBINFHSA-N
MW315.40 g/mol
LogP-1.09
Rot. Bonds3

About (2R)-2-amino-1-[4-(1,2-dimethylimidazol-4-yl)sulfonylpiperazin-1-yl]propan-1-one

(2R)-2-amino-1-[4-(1,2-dimethylimidazol-4-yl)sulfonylpiperazin-1-yl]propan-1-one (PubChem CID 120873149) has the molecular formula C12H21N5O3S and a molecular weight of 315.40 g/mol. Its IUPAC name is (2R)-2-amino-1-[4-(1,2-dimethylimidazol-4-yl)sulfonylpiperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name(2R)-2-amino-1-[4-(1,2-dimethylimidazol-4-yl)sulfonylpiperazin-1-yl]propan-1-one
PubChem CID120873149
Molecular FormulaC12H21N5O3S
Molecular Weight315.40 g/mol
Exact Mass315.14
IUPAC Name(2R)-2-amino-1-[4-(1,2-dimethylimidazol-4-yl)sulfonylpiperazin-1-yl]propan-1-one
SMILESCc1nc(S(=O)(=O)N2CCN(C(=O)[C@@H](C)N)CC2)cn1C
InChIInChI=1S/C12H21N5O3S/c1-9(13)12(18)16-4-6-17(7-5-16)21(19,20)11-8-15(3)10(2)14-11/h8-9H,4-7,13H2,1-3H3/t9-/m1/s1
InChIKeyHDKAQIQGGLKMAN-SECBINFHSA-N
XLogP-1.09
TPSA101.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.40
LogP ≤ 5-1.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-1-[4-(1,2-dimethylimidazol-4-yl)sulfonylpiperazin-1-yl]propan-1-one?
The IUPAC name of (2R)-2-amino-1-[4-(1,2-dimethylimidazol-4-yl)sulfonylpiperazin-1-yl]propan-1-one (CID 120873149) is (2R)-2-amino-1-[4-(1,2-dimethylimidazol-4-yl)sulfonylpiperazin-1-yl]propan-1-one.
What is the SMILES notation for (2R)-2-amino-1-[4-(1,2-dimethylimidazol-4-yl)sulfonylpiperazin-1-yl]propan-1-one?
The canonical SMILES for (2R)-2-amino-1-[4-(1,2-dimethylimidazol-4-yl)sulfonylpiperazin-1-yl]propan-1-one is Cc1nc(S(=O)(=O)N2CCN(C(=O)[C@@H](C)N)CC2)cn1C.
What is the InChIKey of (2R)-2-amino-1-[4-(1,2-dimethylimidazol-4-yl)sulfonylpiperazin-1-yl]propan-1-one?
The InChIKey is HDKAQIQGGLKMAN-SECBINFHSA-N. The full InChI is InChI=1S/C12H21N5O3S/c1-9(13)12(18)16-4-6-17(7-5-16)21(19,20)11-8-15(3)10(2)14-11/h8-9H,4-7,13H2,1-3H3/t9-/m1/s1.
What are the key properties of (2R)-2-amino-1-[4-(1,2-dimethylimidazol-4-yl)sulfonylpiperazin-1-yl]propan-1-one?
(2R)-2-amino-1-[4-(1,2-dimethylimidazol-4-yl)sulfonylpiperazin-1-yl]propan-1-one has a molecular weight of 315.40 g/mol, XLogP of -1.09, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-1-[4-(1,2-dimethylimidazol-4-yl)sulfonylpiperazin-1-yl]propan-1-one is sourced from PubChem (CID 120873149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).