(2S)-1-(4-methylpiperidin-1-yl)-4-methylsulfanylbutan-2-amine

C11H24N2S — CID 22689697

IUPAC(2S)-1-(4-methylpiperidin-1-yl)-4-methylsulfanylbutan-2-amine
SMILESCSCC[C@H](N)CN1CCC(C)CC1
InChIInChI=1S/C11H24N2S/c1-10-3-6-13(7-4-10)9-11(12)5-8-14-2/h10-11H,3-9,12H2,1-2H3/t11-/m0/s1
InChIKeyJOVUEJYZHBTTQW-NSHDSACASA-N
MW216.39 g/mol
LogP1.80
Rot. Bonds5

About (2S)-1-(4-methylpiperidin-1-yl)-4-methylsulfanylbutan-2-amine

(2S)-1-(4-methylpiperidin-1-yl)-4-methylsulfanylbutan-2-amine (PubChem CID 22689697) has the molecular formula C11H24N2S and a molecular weight of 216.39 g/mol. Its IUPAC name is (2S)-1-(4-methylpiperidin-1-yl)-4-methylsulfanylbutan-2-amine.

Molecular Properties

Compound Name(2S)-1-(4-methylpiperidin-1-yl)-4-methylsulfanylbutan-2-amine
PubChem CID22689697
Molecular FormulaC11H24N2S
Molecular Weight216.39 g/mol
Exact Mass216.17
IUPAC Name(2S)-1-(4-methylpiperidin-1-yl)-4-methylsulfanylbutan-2-amine
SMILESCSCC[C@H](N)CN1CCC(C)CC1
InChIInChI=1S/C11H24N2S/c1-10-3-6-13(7-4-10)9-11(12)5-8-14-2/h10-11H,3-9,12H2,1-2H3/t11-/m0/s1
InChIKeyJOVUEJYZHBTTQW-NSHDSACASA-N
XLogP1.80
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.39
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-4-methylsulfanyl-1-morpholin-4-ylbutan-2-amine
CID 22689698
4-methoxy-1-(4-methylpiperidin-1-yl)butan-2-amine
CID 62477662
1-(4-methylazepan-1-yl)pentan-2-amine
CID 63624430
1-(4-methyl-1,4-diazepan-1-yl)-4-methylsulfanylbutan-2-amine
CID 102550722
(2R)-1-(4-methylazepan-1-yl)butan-2-amine
CID 130522357
4-methyl-1-(3-methylpyrrolidin-1-yl)pentan-2-amine
CID 61225825
1-(4-methylpiperidin-1-yl)-4-phenylbutan-2-amine
CID 114929474
(2S)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-4-methylsulfanylbutan-2-amine
CID 22689717
1-(4-propan-2-ylpiperidin-1-yl)hexan-2-amine
CID 103497519
1-(4-tert-butylpiperidin-1-yl)pentan-2-amine
CID 62089164
2-amino-3-(3-methylpiperidin-1-yl)propan-1-ol
CID 64797165
(2S)-2-amino-1-(3-methylpiperidin-1-yl)-4-methylsulfanylbutan-1-one
CID 61148925

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(4-methylpiperidin-1-yl)-4-methylsulfanylbutan-2-amine?
The IUPAC name of (2S)-1-(4-methylpiperidin-1-yl)-4-methylsulfanylbutan-2-amine (CID 22689697) is (2S)-1-(4-methylpiperidin-1-yl)-4-methylsulfanylbutan-2-amine.
What is the SMILES notation for (2S)-1-(4-methylpiperidin-1-yl)-4-methylsulfanylbutan-2-amine?
The canonical SMILES for (2S)-1-(4-methylpiperidin-1-yl)-4-methylsulfanylbutan-2-amine is CSCC[C@H](N)CN1CCC(C)CC1.
What is the InChIKey of (2S)-1-(4-methylpiperidin-1-yl)-4-methylsulfanylbutan-2-amine?
The InChIKey is JOVUEJYZHBTTQW-NSHDSACASA-N. The full InChI is InChI=1S/C11H24N2S/c1-10-3-6-13(7-4-10)9-11(12)5-8-14-2/h10-11H,3-9,12H2,1-2H3/t11-/m0/s1.
What are the key properties of (2S)-1-(4-methylpiperidin-1-yl)-4-methylsulfanylbutan-2-amine?
(2S)-1-(4-methylpiperidin-1-yl)-4-methylsulfanylbutan-2-amine has a molecular weight of 216.39 g/mol, XLogP of 1.80, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(4-methylpiperidin-1-yl)-4-methylsulfanylbutan-2-amine is sourced from PubChem (CID 22689697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).