N-cycloheptyl-3-methyl-1,1-dioxothiolan-3-amine

C12H23NO2S — CID 43679751

IUPACN-cycloheptyl-3-methyl-1,1-dioxothiolan-3-amine
SMILESCC1(NC2CCCCCC2)CCS(=O)(=O)C1
InChIInChI=1S/C12H23NO2S/c1-12(8-9-16(14,15)10-12)13-11-6-4-2-3-5-7-11/h11,13H,2-10H2,1H3
InChIKeyDUBGWQJPFICWHE-UHFFFAOYSA-N
MW245.39 g/mol
LogP1.88
Rot. Bonds2

About N-cycloheptyl-3-methyl-1,1-dioxothiolan-3-amine

N-cycloheptyl-3-methyl-1,1-dioxothiolan-3-amine (PubChem CID 43679751) has the molecular formula C12H23NO2S and a molecular weight of 245.39 g/mol. Its IUPAC name is N-cycloheptyl-3-methyl-1,1-dioxothiolan-3-amine.

Molecular Properties

Compound NameN-cycloheptyl-3-methyl-1,1-dioxothiolan-3-amine
PubChem CID43679751
Molecular FormulaC12H23NO2S
Molecular Weight245.39 g/mol
Exact Mass245.14
IUPAC NameN-cycloheptyl-3-methyl-1,1-dioxothiolan-3-amine
SMILESCC1(NC2CCCCCC2)CCS(=O)(=O)C1
InChIInChI=1S/C12H23NO2S/c1-12(8-9-16(14,15)10-12)13-11-6-4-2-3-5-7-11/h11,13H,2-10H2,1H3
InChIKeyDUBGWQJPFICWHE-UHFFFAOYSA-N
XLogP1.88
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.39
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclohexyl-3-methyl-1,1-dioxothiolan-3-amine
CID 43679840
N-(3-methyl-1,1-dioxothiolan-3-yl)oxepan-4-amine
CID 65081523
4-N-(3-methyl-1,1-dioxothiolan-3-yl)cyclohexane-1,4-diamine
CID 79724714
1-ethyl-N-(3-methyl-1,1-dioxothiolan-3-yl)piperidin-4-amine
CID 43679758
1-[4-[(3-methyl-1,1-dioxothiolan-3-yl)amino]piperidin-1-yl]ethanone
CID 43780093
1-cyclopentyl-3-(3-methyl-1,1-dioxothiolan-3-yl)urea
CID 113257455
3-methyl-N-[3-(2-methylpropyl)cyclohexyl]-1,1-dioxothiolan-3-amine
CID 107428106
N-(2-tert-butylcyclohexyl)-3-methyl-1,1-dioxothiolan-3-amine
CID 43679763
N-(1-methylcyclopropyl)cyclohexanamine
CID 115907289
3-methyl-N-(5-methylthiolan-3-yl)-1,1-dioxothiolan-3-amine
CID 79941618
N-(2,3-dimethylcyclohexyl)-3-methyl-1,1-dioxothiolan-3-amine
CID 64762994
N,3-dimethyl-1,1-dioxothiolan-3-amine;hydrochloride
CID 18559021

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-3-methyl-1,1-dioxothiolan-3-amine?
The IUPAC name of N-cycloheptyl-3-methyl-1,1-dioxothiolan-3-amine (CID 43679751) is N-cycloheptyl-3-methyl-1,1-dioxothiolan-3-amine.
What is the SMILES notation for N-cycloheptyl-3-methyl-1,1-dioxothiolan-3-amine?
The canonical SMILES for N-cycloheptyl-3-methyl-1,1-dioxothiolan-3-amine is CC1(NC2CCCCCC2)CCS(=O)(=O)C1.
What is the InChIKey of N-cycloheptyl-3-methyl-1,1-dioxothiolan-3-amine?
The InChIKey is DUBGWQJPFICWHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2S/c1-12(8-9-16(14,15)10-12)13-11-6-4-2-3-5-7-11/h11,13H,2-10H2,1H3.
What are the key properties of N-cycloheptyl-3-methyl-1,1-dioxothiolan-3-amine?
N-cycloheptyl-3-methyl-1,1-dioxothiolan-3-amine has a molecular weight of 245.39 g/mol, XLogP of 1.88, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-3-methyl-1,1-dioxothiolan-3-amine is sourced from PubChem (CID 43679751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).