8-(cyclopropylmethyl)-2-(3-methylthiophen-2-yl)sulfonyl-2,8-diazaspiro[5.5]undecane

C18H28N2O2S2 — CID 155877780

IUPAC8-(cyclopropylmethyl)-2-(3-methylthiophen-2-yl)sulfonyl-2,8-diazaspiro[5.5]undecane
SMILESCc1ccsc1S(=O)(=O)N1CCCC2(CCCN(CC3CC3)C2)C1
InChIInChI=1S/C18H28N2O2S2/c1-15-6-11-23-17(15)24(21,22)20-10-3-8-18(14-20)7-2-9-19(13-18)12-16-4-5-16/h6,11,16H,2-5,7-10,12-14H2,1H3
InChIKeyGHPFSMUTJLPMTL-UHFFFAOYSA-N
MW368.57 g/mol
LogP3.33
Rot. Bonds4

About 8-(cyclopropylmethyl)-2-(3-methylthiophen-2-yl)sulfonyl-2,8-diazaspiro[5.5]undecane

8-(cyclopropylmethyl)-2-(3-methylthiophen-2-yl)sulfonyl-2,8-diazaspiro[5.5]undecane (PubChem CID 155877780) has the molecular formula C18H28N2O2S2 and a molecular weight of 368.57 g/mol. Its IUPAC name is 8-(cyclopropylmethyl)-2-(3-methylthiophen-2-yl)sulfonyl-2,8-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name8-(cyclopropylmethyl)-2-(3-methylthiophen-2-yl)sulfonyl-2,8-diazaspiro[5.5]undecane
PubChem CID155877780
Molecular FormulaC18H28N2O2S2
Molecular Weight368.57 g/mol
Exact Mass368.16
IUPAC Name8-(cyclopropylmethyl)-2-(3-methylthiophen-2-yl)sulfonyl-2,8-diazaspiro[5.5]undecane
SMILESCc1ccsc1S(=O)(=O)N1CCCC2(CCCN(CC3CC3)C2)C1
InChIInChI=1S/C18H28N2O2S2/c1-15-6-11-23-17(15)24(21,22)20-10-3-8-18(14-20)7-2-9-19(13-18)12-16-4-5-16/h6,11,16H,2-5,7-10,12-14H2,1H3
InChIKeyGHPFSMUTJLPMTL-UHFFFAOYSA-N
XLogP3.33
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.57
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-(cyclopropylmethyl)-2-(3-methylthiophen-2-yl)sulfonyl-2,8-diazaspiro[5.5]undecane?
The IUPAC name of 8-(cyclopropylmethyl)-2-(3-methylthiophen-2-yl)sulfonyl-2,8-diazaspiro[5.5]undecane (CID 155877780) is 8-(cyclopropylmethyl)-2-(3-methylthiophen-2-yl)sulfonyl-2,8-diazaspiro[5.5]undecane.
What is the SMILES notation for 8-(cyclopropylmethyl)-2-(3-methylthiophen-2-yl)sulfonyl-2,8-diazaspiro[5.5]undecane?
The canonical SMILES for 8-(cyclopropylmethyl)-2-(3-methylthiophen-2-yl)sulfonyl-2,8-diazaspiro[5.5]undecane is Cc1ccsc1S(=O)(=O)N1CCCC2(CCCN(CC3CC3)C2)C1.
What is the InChIKey of 8-(cyclopropylmethyl)-2-(3-methylthiophen-2-yl)sulfonyl-2,8-diazaspiro[5.5]undecane?
The InChIKey is GHPFSMUTJLPMTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2S2/c1-15-6-11-23-17(15)24(21,22)20-10-3-8-18(14-20)7-2-9-19(13-18)12-16-4-5-16/h6,11,16H,2-5,7-10,12-14H2,1H3.
What are the key properties of 8-(cyclopropylmethyl)-2-(3-methylthiophen-2-yl)sulfonyl-2,8-diazaspiro[5.5]undecane?
8-(cyclopropylmethyl)-2-(3-methylthiophen-2-yl)sulfonyl-2,8-diazaspiro[5.5]undecane has a molecular weight of 368.57 g/mol, XLogP of 3.33, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(cyclopropylmethyl)-2-(3-methylthiophen-2-yl)sulfonyl-2,8-diazaspiro[5.5]undecane is sourced from PubChem (CID 155877780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).