(2S)-N-methyl-1-(5-methyl-1,4-thiazepan-4-yl)propan-2-amine

C10H22N2S — CID 131048485

IUPAC(2S)-N-methyl-1-(5-methyl-1,4-thiazepan-4-yl)propan-2-amine
SMILESCN[C@@H](C)CN1CCSCCC1C
InChIInChI=1S/C10H22N2S/c1-9(11-3)8-12-5-7-13-6-4-10(12)2/h9-11H,4-8H2,1-3H3/t9-,10?/m0/s1
InChIKeyWWHMEFBFNMSICC-RGURZIINSA-N
MW202.37 g/mol
LogP1.42
Rot. Bonds3

About (2S)-N-methyl-1-(5-methyl-1,4-thiazepan-4-yl)propan-2-amine

(2S)-N-methyl-1-(5-methyl-1,4-thiazepan-4-yl)propan-2-amine (PubChem CID 131048485) has the molecular formula C10H22N2S and a molecular weight of 202.37 g/mol. Its IUPAC name is (2S)-N-methyl-1-(5-methyl-1,4-thiazepan-4-yl)propan-2-amine.

Molecular Properties

Compound Name(2S)-N-methyl-1-(5-methyl-1,4-thiazepan-4-yl)propan-2-amine
PubChem CID131048485
Molecular FormulaC10H22N2S
Molecular Weight202.37 g/mol
Exact Mass202.15
IUPAC Name(2S)-N-methyl-1-(5-methyl-1,4-thiazepan-4-yl)propan-2-amine
SMILESCN[C@@H](C)CN1CCSCCC1C
InChIInChI=1S/C10H22N2S/c1-9(11-3)8-12-5-7-13-6-4-10(12)2/h9-11H,4-8H2,1-3H3/t9-,10?/m0/s1
InChIKeyWWHMEFBFNMSICC-RGURZIINSA-N
XLogP1.42
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.37
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-ethylsulfonylthiomorpholin-4-yl)-N-methylpropan-2-amine
CID 66375830
1-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N-methylpropan-2-amine
CID 62886469
4-(2-fluorobutyl)-3-methylthiomorpholine
CID 130684425
N-methyl-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propan-2-amine
CID 66391503
1-(2-methylazetidin-1-yl)propan-2-amine
CID 79678510
4-(2,4-dimethylpiperidin-1-yl)-N-methylbutan-2-amine
CID 62330145
4-[(5-bromothiophen-2-yl)methyl]-5-methyl-1,4-thiazepane
CID 130964381
1-(4-tert-butylpiperidin-1-yl)-N-methylpropan-2-amine
CID 62089869
3-(methylamino)-4-(2-methylpyrrolidin-1-yl)butan-1-ol
CID 64898588
2-methoxy-3-(3-methylthiomorpholin-4-yl)propan-1-amine
CID 106114859
4-[(3-bromothiophen-2-yl)methyl]-5-methyl-1,4-thiazepane
CID 130834798
1-[(3-methylthiomorpholin-4-yl)methyl]cyclobutan-1-amine
CID 81170046

Frequently Asked Questions

What is the IUPAC name of (2S)-N-methyl-1-(5-methyl-1,4-thiazepan-4-yl)propan-2-amine?
The IUPAC name of (2S)-N-methyl-1-(5-methyl-1,4-thiazepan-4-yl)propan-2-amine (CID 131048485) is (2S)-N-methyl-1-(5-methyl-1,4-thiazepan-4-yl)propan-2-amine.
What is the SMILES notation for (2S)-N-methyl-1-(5-methyl-1,4-thiazepan-4-yl)propan-2-amine?
The canonical SMILES for (2S)-N-methyl-1-(5-methyl-1,4-thiazepan-4-yl)propan-2-amine is CN[C@@H](C)CN1CCSCCC1C.
What is the InChIKey of (2S)-N-methyl-1-(5-methyl-1,4-thiazepan-4-yl)propan-2-amine?
The InChIKey is WWHMEFBFNMSICC-RGURZIINSA-N. The full InChI is InChI=1S/C10H22N2S/c1-9(11-3)8-12-5-7-13-6-4-10(12)2/h9-11H,4-8H2,1-3H3/t9-,10?/m0/s1.
What are the key properties of (2S)-N-methyl-1-(5-methyl-1,4-thiazepan-4-yl)propan-2-amine?
(2S)-N-methyl-1-(5-methyl-1,4-thiazepan-4-yl)propan-2-amine has a molecular weight of 202.37 g/mol, XLogP of 1.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-methyl-1-(5-methyl-1,4-thiazepan-4-yl)propan-2-amine is sourced from PubChem (CID 131048485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).