1-(5-chloro-1-methylimidazol-4-yl)sulfonyl-4-(cyclopropylmethyl)piperazine

C12H19ClN4O2S — CID 61046514

IUPAC1-(5-chloro-1-methylimidazol-4-yl)sulfonyl-4-(cyclopropylmethyl)piperazine
SMILESCn1cnc(S(=O)(=O)N2CCN(CC3CC3)CC2)c1Cl
InChIInChI=1S/C12H19ClN4O2S/c1-15-9-14-12(11(15)13)20(18,19)17-6-4-16(5-7-17)8-10-2-3-10/h9-10H,2-8H2,1H3
InChIKeyKGEVZXWWWXMEAY-UHFFFAOYSA-N
MW318.83 g/mol
LogP0.79
Rot. Bonds4

About 1-(5-chloro-1-methylimidazol-4-yl)sulfonyl-4-(cyclopropylmethyl)piperazine

1-(5-chloro-1-methylimidazol-4-yl)sulfonyl-4-(cyclopropylmethyl)piperazine (PubChem CID 61046514) has the molecular formula C12H19ClN4O2S and a molecular weight of 318.83 g/mol. Its IUPAC name is 1-(5-chloro-1-methylimidazol-4-yl)sulfonyl-4-(cyclopropylmethyl)piperazine.

Molecular Properties

Compound Name1-(5-chloro-1-methylimidazol-4-yl)sulfonyl-4-(cyclopropylmethyl)piperazine
PubChem CID61046514
Molecular FormulaC12H19ClN4O2S
Molecular Weight318.83 g/mol
Exact Mass318.09
IUPAC Name1-(5-chloro-1-methylimidazol-4-yl)sulfonyl-4-(cyclopropylmethyl)piperazine
SMILESCn1cnc(S(=O)(=O)N2CCN(CC3CC3)CC2)c1Cl
InChIInChI=1S/C12H19ClN4O2S/c1-15-9-14-12(11(15)13)20(18,19)17-6-4-16(5-7-17)8-10-2-3-10/h9-10H,2-8H2,1H3
InChIKeyKGEVZXWWWXMEAY-UHFFFAOYSA-N
XLogP0.79
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.83
LogP ≤ 50.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-1-methylimidazol-4-yl)sulfonyl-4-(cyclopropylmethyl)piperazine?
The IUPAC name of 1-(5-chloro-1-methylimidazol-4-yl)sulfonyl-4-(cyclopropylmethyl)piperazine (CID 61046514) is 1-(5-chloro-1-methylimidazol-4-yl)sulfonyl-4-(cyclopropylmethyl)piperazine.
What is the SMILES notation for 1-(5-chloro-1-methylimidazol-4-yl)sulfonyl-4-(cyclopropylmethyl)piperazine?
The canonical SMILES for 1-(5-chloro-1-methylimidazol-4-yl)sulfonyl-4-(cyclopropylmethyl)piperazine is Cn1cnc(S(=O)(=O)N2CCN(CC3CC3)CC2)c1Cl.
What is the InChIKey of 1-(5-chloro-1-methylimidazol-4-yl)sulfonyl-4-(cyclopropylmethyl)piperazine?
The InChIKey is KGEVZXWWWXMEAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN4O2S/c1-15-9-14-12(11(15)13)20(18,19)17-6-4-16(5-7-17)8-10-2-3-10/h9-10H,2-8H2,1H3.
What are the key properties of 1-(5-chloro-1-methylimidazol-4-yl)sulfonyl-4-(cyclopropylmethyl)piperazine?
1-(5-chloro-1-methylimidazol-4-yl)sulfonyl-4-(cyclopropylmethyl)piperazine has a molecular weight of 318.83 g/mol, XLogP of 0.79, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-1-methylimidazol-4-yl)sulfonyl-4-(cyclopropylmethyl)piperazine is sourced from PubChem (CID 61046514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).