6-(1,1-dimethylthiiran-2-yl)-N,2,2,3-tetramethylhexan-1-amine

C14H31NS — CID 123969535

IUPAC6-(1,1-dimethylthiiran-2-yl)-N,2,2,3-tetramethylhexan-1-amine
SMILESCNCC(C)(C)C(C)CCCC1CS1(C)C
InChIInChI=1S/C14H31NS/c1-12(14(2,3)11-15-4)8-7-9-13-10-16(13,5)6/h12-13,15H,7-11H2,1-6H3
InChIKeyCUFVYTPOUFONLG-UHFFFAOYSA-N
MW245.48 g/mol
LogP3.48
Rot. Bonds7

About 6-(1,1-dimethylthiiran-2-yl)-N,2,2,3-tetramethylhexan-1-amine

6-(1,1-dimethylthiiran-2-yl)-N,2,2,3-tetramethylhexan-1-amine (PubChem CID 123969535) has the molecular formula C14H31NS and a molecular weight of 245.48 g/mol. Its IUPAC name is 6-(1,1-dimethylthiiran-2-yl)-N,2,2,3-tetramethylhexan-1-amine.

Molecular Properties

Compound Name6-(1,1-dimethylthiiran-2-yl)-N,2,2,3-tetramethylhexan-1-amine
PubChem CID123969535
Molecular FormulaC14H31NS
Molecular Weight245.48 g/mol
Exact Mass245.22
IUPAC Name6-(1,1-dimethylthiiran-2-yl)-N,2,2,3-tetramethylhexan-1-amine
SMILESCNCC(C)(C)C(C)CCCC1CS1(C)C
InChIInChI=1S/C14H31NS/c1-12(14(2,3)11-15-4)8-7-9-13-10-16(13,5)6/h12-13,15H,7-11H2,1-6H3
InChIKeyCUFVYTPOUFONLG-UHFFFAOYSA-N
XLogP3.48
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.48
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze 6-(1,1-dimethylthiiran-2-yl)-N,2,2,3-tetramethylhexan-1-amine with MolForge

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Launch Full Analysis

Related Compounds

N-methyl-1-[1-methyl-9-(methylsulfanylmethyl)cyclohexadecyl]methanamine
CID 130369281
(2S)-2-methyl-2-[(2S)-2-methyl-1-methylsulfanylpentan-3-yl]-N-propylheptan-1-amine
CID 134217142
3-ethyl-N,3-dimethyl-6-methylsulfanylheptan-1-amine
CID 143166114
2-(1-Ethylsulfanylpropan-2-yl)-2-methylheptan-1-amine
CID 143432277
N-ethyl-5-(3-ethylthiiran-2-yl)hexan-1-amine
CID 146184338
1-[1-(2-ethylsulfanylpropyl)-2-methylcyclopropyl]-N-methylmethanamine
CID 156156307
N-methyl-1-[1-(methylsulfanylmethyl)cyclohexyl]methanamine
CID 166976389
(3S)-3-ethyl-N-methyl-2-(2-methylsulfanylbutyl)heptan-1-amine
CID 174077173
4-tert-butyl-N-(3-methylsulfanylpropyl)cycloheptan-1-amine
CID 65090080
1-(7,7-dimethyl-5-thiaspiro[2.5]octan-2-yl)-N-methylmethanamine
CID 79946671
N-[(7,7-dimethyl-5-thiaspiro[2.5]octan-2-yl)methyl]ethanamine
CID 79946759
N-[(7,7-dimethyl-5-thiaspiro[2.5]octan-2-yl)methyl]propan-1-amine
CID 79946848

Frequently Asked Questions

What is the IUPAC name of 6-(1,1-dimethylthiiran-2-yl)-N,2,2,3-tetramethylhexan-1-amine?
The IUPAC name of 6-(1,1-dimethylthiiran-2-yl)-N,2,2,3-tetramethylhexan-1-amine (CID 123969535) is 6-(1,1-dimethylthiiran-2-yl)-N,2,2,3-tetramethylhexan-1-amine.
What is the SMILES notation for 6-(1,1-dimethylthiiran-2-yl)-N,2,2,3-tetramethylhexan-1-amine?
The canonical SMILES for 6-(1,1-dimethylthiiran-2-yl)-N,2,2,3-tetramethylhexan-1-amine is CNCC(C)(C)C(C)CCCC1CS1(C)C.
What is the InChIKey of 6-(1,1-dimethylthiiran-2-yl)-N,2,2,3-tetramethylhexan-1-amine?
The InChIKey is CUFVYTPOUFONLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31NS/c1-12(14(2,3)11-15-4)8-7-9-13-10-16(13,5)6/h12-13,15H,7-11H2,1-6H3.
What are the key properties of 6-(1,1-dimethylthiiran-2-yl)-N,2,2,3-tetramethylhexan-1-amine?
6-(1,1-dimethylthiiran-2-yl)-N,2,2,3-tetramethylhexan-1-amine has a molecular weight of 245.48 g/mol, XLogP of 3.48, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,1-dimethylthiiran-2-yl)-N,2,2,3-tetramethylhexan-1-amine is sourced from PubChem (CID 123969535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).