trans-(1S,2S)-N-(4-hydroxycyclohexyl)-N-methylsulfonyl-2-(5-methylthiophen-2-yl)cyclopropane-1-carboxamide

C16H23NO4S2 — CID 99775209

IUPACtrans-(1S,2S)-N-(4-hydroxycyclohexyl)-N-methylsulfonyl-2-(5-methylthiophen-2-yl)cyclopropane-1-carboxamide
SMILESCc1ccc([C@H]2C[C@@H]2C(=O)N(C2CCC(O)CC2)S(C)(=O)=O)s1
InChIInChI=1S/C16H23NO4S2/c1-10-3-8-15(22-10)13-9-14(13)16(19)17(23(2,20)21)11-4-6-12(18)7-5-11/h3,8,11-14,18H,4-7,9H2,1-2H3/t11?,12?,13-,14-/m0/s1
InChIKeyYQOIDXIDUVUVDY-HOAMVYINSA-N
MW357.50 g/mol
LogP2.25
Rot. Bonds4

About trans-(1S,2S)-N-(4-hydroxycyclohexyl)-N-methylsulfonyl-2-(5-methylthiophen-2-yl)cyclopropane-1-carboxamide

trans-(1S,2S)-N-(4-hydroxycyclohexyl)-N-methylsulfonyl-2-(5-methylthiophen-2-yl)cyclopropane-1-carboxamide (PubChem CID 99775209) has the molecular formula C16H23NO4S2 and a molecular weight of 357.50 g/mol. Its IUPAC name is trans-(1S,2S)-N-(4-hydroxycyclohexyl)-N-methylsulfonyl-2-(5-methylthiophen-2-yl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1S,2S)-N-(4-hydroxycyclohexyl)-N-methylsulfonyl-2-(5-methylthiophen-2-yl)cyclopropane-1-carboxamide
PubChem CID99775209
Molecular FormulaC16H23NO4S2
Molecular Weight357.50 g/mol
Exact Mass357.11
IUPAC Nametrans-(1S,2S)-N-(4-hydroxycyclohexyl)-N-methylsulfonyl-2-(5-methylthiophen-2-yl)cyclopropane-1-carboxamide
SMILESCc1ccc([C@H]2C[C@@H]2C(=O)N(C2CCC(O)CC2)S(C)(=O)=O)s1
InChIInChI=1S/C16H23NO4S2/c1-10-3-8-15(22-10)13-9-14(13)16(19)17(23(2,20)21)11-4-6-12(18)7-5-11/h3,8,11-14,18H,4-7,9H2,1-2H3/t11?,12?,13-,14-/m0/s1
InChIKeyYQOIDXIDUVUVDY-HOAMVYINSA-N
XLogP2.25
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.50
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-N-(4-hydroxycyclohexyl)-N-methylsulfonyl-2-(5-methylthiophen-2-yl)cyclopropane-1-carboxamide?
The IUPAC name of trans-(1S,2S)-N-(4-hydroxycyclohexyl)-N-methylsulfonyl-2-(5-methylthiophen-2-yl)cyclopropane-1-carboxamide (CID 99775209) is trans-(1S,2S)-N-(4-hydroxycyclohexyl)-N-methylsulfonyl-2-(5-methylthiophen-2-yl)cyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1S,2S)-N-(4-hydroxycyclohexyl)-N-methylsulfonyl-2-(5-methylthiophen-2-yl)cyclopropane-1-carboxamide?
The canonical SMILES for trans-(1S,2S)-N-(4-hydroxycyclohexyl)-N-methylsulfonyl-2-(5-methylthiophen-2-yl)cyclopropane-1-carboxamide is Cc1ccc([C@H]2C[C@@H]2C(=O)N(C2CCC(O)CC2)S(C)(=O)=O)s1.
What is the InChIKey of trans-(1S,2S)-N-(4-hydroxycyclohexyl)-N-methylsulfonyl-2-(5-methylthiophen-2-yl)cyclopropane-1-carboxamide?
The InChIKey is YQOIDXIDUVUVDY-HOAMVYINSA-N. The full InChI is InChI=1S/C16H23NO4S2/c1-10-3-8-15(22-10)13-9-14(13)16(19)17(23(2,20)21)11-4-6-12(18)7-5-11/h3,8,11-14,18H,4-7,9H2,1-2H3/t11?,12?,13-,14-/m0/s1.
What are the key properties of trans-(1S,2S)-N-(4-hydroxycyclohexyl)-N-methylsulfonyl-2-(5-methylthiophen-2-yl)cyclopropane-1-carboxamide?
trans-(1S,2S)-N-(4-hydroxycyclohexyl)-N-methylsulfonyl-2-(5-methylthiophen-2-yl)cyclopropane-1-carboxamide has a molecular weight of 357.50 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-N-(4-hydroxycyclohexyl)-N-methylsulfonyl-2-(5-methylthiophen-2-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 99775209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).