4-butan-2-ylsulfanyl-N-propylbutan-2-amine

C11H25NS — CID 64614458

IUPAC4-butan-2-ylsulfanyl-N-propylbutan-2-amine
SMILESCCCNC(C)CCSC(C)CC
InChIInChI=1S/C11H25NS/c1-5-8-12-10(3)7-9-13-11(4)6-2/h10-12H,5-9H2,1-4H3
InChIKeyDKOMTSZWMWVGGA-UHFFFAOYSA-N
MW203.39 g/mol
LogP3.30
Rot. Bonds8

About 4-butan-2-ylsulfanyl-N-propylbutan-2-amine

4-butan-2-ylsulfanyl-N-propylbutan-2-amine (PubChem CID 64614458) has the molecular formula C11H25NS and a molecular weight of 203.39 g/mol. Its IUPAC name is 4-butan-2-ylsulfanyl-N-propylbutan-2-amine.

Molecular Properties

Compound Name4-butan-2-ylsulfanyl-N-propylbutan-2-amine
PubChem CID64614458
Molecular FormulaC11H25NS
Molecular Weight203.39 g/mol
Exact Mass203.17
IUPAC Name4-butan-2-ylsulfanyl-N-propylbutan-2-amine
SMILESCCCNC(C)CCSC(C)CC
InChIInChI=1S/C11H25NS/c1-5-8-12-10(3)7-9-13-11(4)6-2/h10-12H,5-9H2,1-4H3
InChIKeyDKOMTSZWMWVGGA-UHFFFAOYSA-N
XLogP3.30
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.39
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(3-methylbutan-2-ylsulfanyl)-N-propylbutan-2-amine
CID 107763350
N-(2-butan-2-ylsulfanylethyl)propan-1-amine
CID 61385679
4-butylsulfanyl-N-propylpentan-2-amine
CID 64703228
3-[5-(propylamino)hexylsulfanyl]butan-1-ol
CID 66137562
N-propylnonan-2-amine
CID 43129664
N-(2-butan-2-ylsulfanylethyl)pentan-1-amine
CID 62576318
6-(2-methylbutylsulfanyl)-N-propylhexan-2-amine
CID 107763800
4-butan-2-ylsulfanyl-N-propan-2-ylbutan-1-amine
CID 62576521
(2H)iodane;N-propylbutan-2-amine
CID 160782338
N-butan-2-yl-N'-heptan-2-ylethane-1,2-diamine
CID 61465971
4,6-dimethyl-N-propyloctan-2-amine
CID 64720545
N-(2-butan-2-ylsulfanylethyl)-2,2,2-trifluoroethanamine
CID 62579251

Frequently Asked Questions

What is the IUPAC name of 4-butan-2-ylsulfanyl-N-propylbutan-2-amine?
The IUPAC name of 4-butan-2-ylsulfanyl-N-propylbutan-2-amine (CID 64614458) is 4-butan-2-ylsulfanyl-N-propylbutan-2-amine.
What is the SMILES notation for 4-butan-2-ylsulfanyl-N-propylbutan-2-amine?
The canonical SMILES for 4-butan-2-ylsulfanyl-N-propylbutan-2-amine is CCCNC(C)CCSC(C)CC.
What is the InChIKey of 4-butan-2-ylsulfanyl-N-propylbutan-2-amine?
The InChIKey is DKOMTSZWMWVGGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NS/c1-5-8-12-10(3)7-9-13-11(4)6-2/h10-12H,5-9H2,1-4H3.
What are the key properties of 4-butan-2-ylsulfanyl-N-propylbutan-2-amine?
4-butan-2-ylsulfanyl-N-propylbutan-2-amine has a molecular weight of 203.39 g/mol, XLogP of 3.30, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butan-2-ylsulfanyl-N-propylbutan-2-amine is sourced from PubChem (CID 64614458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).