3-propan-2-ylsulfanyl-N-propylbutan-2-amine

C10H23NS — CID 64632853

IUPAC3-propan-2-ylsulfanyl-N-propylbutan-2-amine
SMILESCCCNC(C)C(C)SC(C)C
InChIInChI=1S/C10H23NS/c1-6-7-11-9(4)10(5)12-8(2)3/h8-11H,6-7H2,1-5H3
InChIKeyLXMYOCSVXVEVIO-UHFFFAOYSA-N
MW189.37 g/mol
LogP2.90
Rot. Bonds6

About 3-propan-2-ylsulfanyl-N-propylbutan-2-amine

3-propan-2-ylsulfanyl-N-propylbutan-2-amine (PubChem CID 64632853) has the molecular formula C10H23NS and a molecular weight of 189.37 g/mol. Its IUPAC name is 3-propan-2-ylsulfanyl-N-propylbutan-2-amine.

Molecular Properties

Compound Name3-propan-2-ylsulfanyl-N-propylbutan-2-amine
PubChem CID64632853
Molecular FormulaC10H23NS
Molecular Weight189.37 g/mol
Exact Mass189.16
IUPAC Name3-propan-2-ylsulfanyl-N-propylbutan-2-amine
SMILESCCCNC(C)C(C)SC(C)C
InChIInChI=1S/C10H23NS/c1-6-7-11-9(4)10(5)12-8(2)3/h8-11H,6-7H2,1-5H3
InChIKeyLXMYOCSVXVEVIO-UHFFFAOYSA-N
XLogP2.90
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.37
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[3-(propylamino)butan-2-ylsulfanyl]butan-2-ol
CID 107772410
2-methyl-3-[3-(propylamino)butan-2-ylsulfanyl]propan-1-ol
CID 66102569
(2S,3R)-3-methyl-N-propylhexan-2-amine
CID 170123604
3-(2-methylsulfonylethylsulfanyl)-N-propylbutan-2-amine
CID 64610248
1-N'-propylethane-1,1-diamine;hydrochloride
CID 140981166
3-(4-tert-butylphenyl)sulfanyl-N-propylbutan-2-amine
CID 64649240
methyl 3-[3-(propylamino)butan-2-ylsulfanyl]propanoate
CID 64613726
N-ethyl-2-propan-2-ylsulfanylpentan-3-amine
CID 64632850
3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-propylbutan-2-amine
CID 115384110
3-(1-methyltetrazol-5-yl)sulfanyl-N-propylbutan-2-amine
CID 64620207
3,7-dimethyl-N-propyloctan-2-amine
CID 83158474
methanamine;N-propan-2-ylpropan-1-amine
CID 156646096

Frequently Asked Questions

What is the IUPAC name of 3-propan-2-ylsulfanyl-N-propylbutan-2-amine?
The IUPAC name of 3-propan-2-ylsulfanyl-N-propylbutan-2-amine (CID 64632853) is 3-propan-2-ylsulfanyl-N-propylbutan-2-amine.
What is the SMILES notation for 3-propan-2-ylsulfanyl-N-propylbutan-2-amine?
The canonical SMILES for 3-propan-2-ylsulfanyl-N-propylbutan-2-amine is CCCNC(C)C(C)SC(C)C.
What is the InChIKey of 3-propan-2-ylsulfanyl-N-propylbutan-2-amine?
The InChIKey is LXMYOCSVXVEVIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NS/c1-6-7-11-9(4)10(5)12-8(2)3/h8-11H,6-7H2,1-5H3.
What are the key properties of 3-propan-2-ylsulfanyl-N-propylbutan-2-amine?
3-propan-2-ylsulfanyl-N-propylbutan-2-amine has a molecular weight of 189.37 g/mol, XLogP of 2.90, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-ylsulfanyl-N-propylbutan-2-amine is sourced from PubChem (CID 64632853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).