2-cyclohexyl-N-[(1,1-dioxothian-2-yl)methyl]cyclopropane-1-carboxamide

C16H27NO3S — CID 127818138

IUPAC2-cyclohexyl-N-[(1,1-dioxothian-2-yl)methyl]cyclopropane-1-carboxamide
SMILESO=C(NCC1CCCCS1(=O)=O)C1CC1C1CCCCC1
InChIInChI=1S/C16H27NO3S/c18-16(15-10-14(15)12-6-2-1-3-7-12)17-11-13-8-4-5-9-21(13,19)20/h12-15H,1-11H2,(H,17,18)
InChIKeyOMKUQWPZANHGOS-UHFFFAOYSA-N
MW313.46 g/mol
LogP2.29
Rot. Bonds4

About 2-cyclohexyl-N-[(1,1-dioxothian-2-yl)methyl]cyclopropane-1-carboxamide

2-cyclohexyl-N-[(1,1-dioxothian-2-yl)methyl]cyclopropane-1-carboxamide (PubChem CID 127818138) has the molecular formula C16H27NO3S and a molecular weight of 313.46 g/mol. Its IUPAC name is 2-cyclohexyl-N-[(1,1-dioxothian-2-yl)methyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2-cyclohexyl-N-[(1,1-dioxothian-2-yl)methyl]cyclopropane-1-carboxamide
PubChem CID127818138
Molecular FormulaC16H27NO3S
Molecular Weight313.46 g/mol
Exact Mass313.17
IUPAC Name2-cyclohexyl-N-[(1,1-dioxothian-2-yl)methyl]cyclopropane-1-carboxamide
SMILESO=C(NCC1CCCCS1(=O)=O)C1CC1C1CCCCC1
InChIInChI=1S/C16H27NO3S/c18-16(15-10-14(15)12-6-2-1-3-7-12)17-11-13-8-4-5-9-21(13,19)20/h12-15H,1-11H2,(H,17,18)
InChIKeyOMKUQWPZANHGOS-UHFFFAOYSA-N
XLogP2.29
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.46
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-N-[(1,1-dioxothian-2-yl)methyl]cyclopropane-1-carboxamide?
The IUPAC name of 2-cyclohexyl-N-[(1,1-dioxothian-2-yl)methyl]cyclopropane-1-carboxamide (CID 127818138) is 2-cyclohexyl-N-[(1,1-dioxothian-2-yl)methyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 2-cyclohexyl-N-[(1,1-dioxothian-2-yl)methyl]cyclopropane-1-carboxamide?
The canonical SMILES for 2-cyclohexyl-N-[(1,1-dioxothian-2-yl)methyl]cyclopropane-1-carboxamide is O=C(NCC1CCCCS1(=O)=O)C1CC1C1CCCCC1.
What is the InChIKey of 2-cyclohexyl-N-[(1,1-dioxothian-2-yl)methyl]cyclopropane-1-carboxamide?
The InChIKey is OMKUQWPZANHGOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO3S/c18-16(15-10-14(15)12-6-2-1-3-7-12)17-11-13-8-4-5-9-21(13,19)20/h12-15H,1-11H2,(H,17,18).
What are the key properties of 2-cyclohexyl-N-[(1,1-dioxothian-2-yl)methyl]cyclopropane-1-carboxamide?
2-cyclohexyl-N-[(1,1-dioxothian-2-yl)methyl]cyclopropane-1-carboxamide has a molecular weight of 313.46 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-N-[(1,1-dioxothian-2-yl)methyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 127818138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).