[3-[4-(cyclopropylmethyl)piperazin-1-yl]sulfonyl-4-methylthiophen-2-yl]methanol

C14H22N2O3S2 — CID 102749830

IUPAC[3-[4-(cyclopropylmethyl)piperazin-1-yl]sulfonyl-4-methylthiophen-2-yl]methanol
SMILESCc1csc(CO)c1S(=O)(=O)N1CCN(CC2CC2)CC1
InChIInChI=1S/C14H22N2O3S2/c1-11-10-20-13(9-17)14(11)21(18,19)16-6-4-15(5-7-16)8-12-2-3-12/h10,12,17H,2-9H2,1H3
InChIKeyINZKKCLPJQKPMO-UHFFFAOYSA-N
MW330.48 g/mol
LogP1.27
Rot. Bonds5

About [3-[4-(cyclopropylmethyl)piperazin-1-yl]sulfonyl-4-methylthiophen-2-yl]methanol

[3-[4-(cyclopropylmethyl)piperazin-1-yl]sulfonyl-4-methylthiophen-2-yl]methanol (PubChem CID 102749830) has the molecular formula C14H22N2O3S2 and a molecular weight of 330.48 g/mol. Its IUPAC name is [3-[4-(cyclopropylmethyl)piperazin-1-yl]sulfonyl-4-methylthiophen-2-yl]methanol.

Molecular Properties

Compound Name[3-[4-(cyclopropylmethyl)piperazin-1-yl]sulfonyl-4-methylthiophen-2-yl]methanol
PubChem CID102749830
Molecular FormulaC14H22N2O3S2
Molecular Weight330.48 g/mol
Exact Mass330.11
IUPAC Name[3-[4-(cyclopropylmethyl)piperazin-1-yl]sulfonyl-4-methylthiophen-2-yl]methanol
SMILESCc1csc(CO)c1S(=O)(=O)N1CCN(CC2CC2)CC1
InChIInChI=1S/C14H22N2O3S2/c1-11-10-20-13(9-17)14(11)21(18,19)16-6-4-15(5-7-16)8-12-2-3-12/h10,12,17H,2-9H2,1H3
InChIKeyINZKKCLPJQKPMO-UHFFFAOYSA-N
XLogP1.27
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.48
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-[4-(cyclopropylmethyl)piperazin-1-yl]sulfonyl-4-methylthiophen-2-yl]methanol?
The IUPAC name of [3-[4-(cyclopropylmethyl)piperazin-1-yl]sulfonyl-4-methylthiophen-2-yl]methanol (CID 102749830) is [3-[4-(cyclopropylmethyl)piperazin-1-yl]sulfonyl-4-methylthiophen-2-yl]methanol.
What is the SMILES notation for [3-[4-(cyclopropylmethyl)piperazin-1-yl]sulfonyl-4-methylthiophen-2-yl]methanol?
The canonical SMILES for [3-[4-(cyclopropylmethyl)piperazin-1-yl]sulfonyl-4-methylthiophen-2-yl]methanol is Cc1csc(CO)c1S(=O)(=O)N1CCN(CC2CC2)CC1.
What is the InChIKey of [3-[4-(cyclopropylmethyl)piperazin-1-yl]sulfonyl-4-methylthiophen-2-yl]methanol?
The InChIKey is INZKKCLPJQKPMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S2/c1-11-10-20-13(9-17)14(11)21(18,19)16-6-4-15(5-7-16)8-12-2-3-12/h10,12,17H,2-9H2,1H3.
What are the key properties of [3-[4-(cyclopropylmethyl)piperazin-1-yl]sulfonyl-4-methylthiophen-2-yl]methanol?
[3-[4-(cyclopropylmethyl)piperazin-1-yl]sulfonyl-4-methylthiophen-2-yl]methanol has a molecular weight of 330.48 g/mol, XLogP of 1.27, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[4-(cyclopropylmethyl)piperazin-1-yl]sulfonyl-4-methylthiophen-2-yl]methanol is sourced from PubChem (CID 102749830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).