N,2-dimethyl-1,1-dioxothian-4-amine

C7H15NO2S — CID 155183719

IUPACN,2-dimethyl-1,1-dioxothian-4-amine
SMILESCNC1CCS(=O)(=O)C(C)C1
InChIInChI=1S/C7H15NO2S/c1-6-5-7(8-2)3-4-11(6,9)10/h6-8H,3-5H2,1-2H3
InChIKeyWGOKSMSRLDYEFP-UHFFFAOYSA-N
MW177.27 g/mol
LogP0.17
Rot. Bonds1

About N,2-dimethyl-1,1-dioxothian-4-amine

N,2-dimethyl-1,1-dioxothian-4-amine (PubChem CID 155183719) has the molecular formula C7H15NO2S and a molecular weight of 177.27 g/mol. Its IUPAC name is N,2-dimethyl-1,1-dioxothian-4-amine.

Molecular Properties

Compound NameN,2-dimethyl-1,1-dioxothian-4-amine
PubChem CID155183719
Molecular FormulaC7H15NO2S
Molecular Weight177.27 g/mol
Exact Mass177.08
IUPAC NameN,2-dimethyl-1,1-dioxothian-4-amine
SMILESCNC1CCS(=O)(=O)C(C)C1
InChIInChI=1S/C7H15NO2S/c1-6-5-7(8-2)3-4-11(6,9)10/h6-8H,3-5H2,1-2H3
InChIKeyWGOKSMSRLDYEFP-UHFFFAOYSA-N
XLogP0.17
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.27
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,5-dimethyl-1,1-dioxothiolan-3-amine
CID 83905426
N-(2-methyl-1,1-dioxothian-4-yl)prop-2-enamide
CID 139020035
amino 2-methyl-1,1-dioxothiane-4-carboxylate
CID 90867404
(7R)-7-methyl-1,4-thiazepane 1,1-dioxide
CID 97032251
N,3-dimethylcyclohexan-1-amine
CID 16771259
1-(1,1-dioxothian-3-yl)-N,2-dimethylpiperidin-4-amine
CID 63923553
N,3-dimethylcyclohexan-1-amine;hydrochloride
CID 45286057
8-[(1,1-dioxothiolan-2-yl)methyl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 81040614
(5R)-2-methyl-5-(methylamino)cyclohexan-1-ol
CID 176717328
N-methyl-1-(2-methyl-1,1-dioxothiolan-3-yl)propan-1-amine
CID 130624611
1-methyl-3-[(2S,3S)-2-methyl-1,1-dioxothiolan-3-yl]thiourea
CID 130969391
(2R,3R)-2-methyl-1,1-dioxo-N-propan-2-ylthiolan-3-amine
CID 167913931

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-1,1-dioxothian-4-amine?
The IUPAC name of N,2-dimethyl-1,1-dioxothian-4-amine (CID 155183719) is N,2-dimethyl-1,1-dioxothian-4-amine.
What is the SMILES notation for N,2-dimethyl-1,1-dioxothian-4-amine?
The canonical SMILES for N,2-dimethyl-1,1-dioxothian-4-amine is CNC1CCS(=O)(=O)C(C)C1.
What is the InChIKey of N,2-dimethyl-1,1-dioxothian-4-amine?
The InChIKey is WGOKSMSRLDYEFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO2S/c1-6-5-7(8-2)3-4-11(6,9)10/h6-8H,3-5H2,1-2H3.
What are the key properties of N,2-dimethyl-1,1-dioxothian-4-amine?
N,2-dimethyl-1,1-dioxothian-4-amine has a molecular weight of 177.27 g/mol, XLogP of 0.17, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-1,1-dioxothian-4-amine is sourced from PubChem (CID 155183719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).