3-(cyclohexylmethyl)-1,1-dioxothiolan-3-amine

C11H21NO2S — CID 115338022

IUPAC3-(cyclohexylmethyl)-1,1-dioxothiolan-3-amine
SMILESNC1(CC2CCCCC2)CCS(=O)(=O)C1
InChIInChI=1S/C11H21NO2S/c12-11(6-7-15(13,14)9-11)8-10-4-2-1-3-5-10/h10H,1-9,12H2
InChIKeyPIDRRQPBPQBDFX-UHFFFAOYSA-N
MW231.36 g/mol
LogP1.47
Rot. Bonds2

About 3-(cyclohexylmethyl)-1,1-dioxothiolan-3-amine

3-(cyclohexylmethyl)-1,1-dioxothiolan-3-amine (PubChem CID 115338022) has the molecular formula C11H21NO2S and a molecular weight of 231.36 g/mol. Its IUPAC name is 3-(cyclohexylmethyl)-1,1-dioxothiolan-3-amine.

Molecular Properties

Compound Name3-(cyclohexylmethyl)-1,1-dioxothiolan-3-amine
PubChem CID115338022
Molecular FormulaC11H21NO2S
Molecular Weight231.36 g/mol
Exact Mass231.13
IUPAC Name3-(cyclohexylmethyl)-1,1-dioxothiolan-3-amine
SMILESNC1(CC2CCCCC2)CCS(=O)(=O)C1
InChIInChI=1S/C11H21NO2S/c12-11(6-7-15(13,14)9-11)8-10-4-2-1-3-5-10/h10H,1-9,12H2
InChIKeyPIDRRQPBPQBDFX-UHFFFAOYSA-N
XLogP1.47
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.36
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(cycloheptylmethyl)cyclopropan-1-amine
CID 83682636
1,1-dioxo-3-(2,2,2-trifluoroethyl)thiolan-3-amine
CID 105470640
3-cyclohexyl-1,1-dioxothiolan-3-ol
CID 63162854
1-[(1-methylpiperidin-4-yl)methyl]cyclohexan-1-amine
CID 115074068
3-(2,2-difluoropropyl)-1,1-dioxothiolan-3-amine
CID 115028281
3-[(2-methylpropan-2-yl)oxymethyl]-1,1-dioxothiolan-3-amine
CID 130564508
3-(cyclopropylmethyl)-1,1-dioxothiolane-3-carbonitrile
CID 130514346
1-[(1,1-dioxothian-4-yl)methyl]cyclohexan-1-ol
CID 115073768
1-[(1-methylpiperidin-4-yl)methyl]cyclopentan-1-amine
CID 115074013
1-[2-(1,1-dioxothian-3-yl)ethyl]cyclopentan-1-amine
CID 115074208
1-(cyclopropylmethyl)cyclopropan-1-amine;hydrochloride
CID 131637609
1-[2-(1,1-dioxothian-4-yl)ethyl]cyclopentan-1-amine
CID 115074188

Frequently Asked Questions

What is the IUPAC name of 3-(cyclohexylmethyl)-1,1-dioxothiolan-3-amine?
The IUPAC name of 3-(cyclohexylmethyl)-1,1-dioxothiolan-3-amine (CID 115338022) is 3-(cyclohexylmethyl)-1,1-dioxothiolan-3-amine.
What is the SMILES notation for 3-(cyclohexylmethyl)-1,1-dioxothiolan-3-amine?
The canonical SMILES for 3-(cyclohexylmethyl)-1,1-dioxothiolan-3-amine is NC1(CC2CCCCC2)CCS(=O)(=O)C1.
What is the InChIKey of 3-(cyclohexylmethyl)-1,1-dioxothiolan-3-amine?
The InChIKey is PIDRRQPBPQBDFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2S/c12-11(6-7-15(13,14)9-11)8-10-4-2-1-3-5-10/h10H,1-9,12H2.
What are the key properties of 3-(cyclohexylmethyl)-1,1-dioxothiolan-3-amine?
3-(cyclohexylmethyl)-1,1-dioxothiolan-3-amine has a molecular weight of 231.36 g/mol, XLogP of 1.47, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclohexylmethyl)-1,1-dioxothiolan-3-amine is sourced from PubChem (CID 115338022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).