tert-butyl N-[2-(4-methylsulfanylbutan-2-ylamino)propyl]carbamate

C13H28N2O2S — CID 103390979

IUPACtert-butyl N-[2-(4-methylsulfanylbutan-2-ylamino)propyl]carbamate
SMILESCSCCC(C)NC(C)CNC(=O)OC(C)(C)C
InChIInChI=1S/C13H28N2O2S/c1-10(7-8-18-6)15-11(2)9-14-12(16)17-13(3,4)5/h10-11,15H,7-9H2,1-6H3,(H,14,16)
InChIKeyMABWOKDYHLXUBN-UHFFFAOYSA-N
MW276.45 g/mol
LogP2.63
Rot. Bonds7

About tert-butyl N-[2-(4-methylsulfanylbutan-2-ylamino)propyl]carbamate

tert-butyl N-[2-(4-methylsulfanylbutan-2-ylamino)propyl]carbamate (PubChem CID 103390979) has the molecular formula C13H28N2O2S and a molecular weight of 276.45 g/mol. Its IUPAC name is tert-butyl N-[2-(4-methylsulfanylbutan-2-ylamino)propyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(4-methylsulfanylbutan-2-ylamino)propyl]carbamate
PubChem CID103390979
Molecular FormulaC13H28N2O2S
Molecular Weight276.45 g/mol
Exact Mass276.19
IUPAC Nametert-butyl N-[2-(4-methylsulfanylbutan-2-ylamino)propyl]carbamate
SMILESCSCCC(C)NC(C)CNC(=O)OC(C)(C)C
InChIInChI=1S/C13H28N2O2S/c1-10(7-8-18-6)15-11(2)9-14-12(16)17-13(3,4)5/h10-11,15H,7-9H2,1-6H3,(H,14,16)
InChIKeyMABWOKDYHLXUBN-UHFFFAOYSA-N
XLogP2.63
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.45
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[3-methyl-2-[(4-methylsulfanylbutan-2-ylamino)methyl]butyl]carbamate
CID 107442740
tert-butyl N-[2-(propan-2-ylamino)propyl]carbamate
CID 103386965
tert-butyl N-[2-(6,6,6-trifluorohexan-2-ylamino)propyl]carbamate
CID 107248523
tert-butyl N-[2-(4-hydroxypentan-2-ylamino)propyl]carbamate
CID 103390810
tert-butyl N-[2-(heptan-4-ylamino)propyl]carbamate
CID 107248426
tert-butyl N-[2-(pent-4-en-2-ylamino)propyl]carbamate
CID 103390957
tert-butyl N-[2-[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]propyl]carbamate
CID 106158535
tert-butyl N-[2-(1-ethoxyethylamino)propyl]carbamate
CID 167219816
tert-butyl N-[2-(1-hydroxypentan-3-ylamino)propyl]carbamate
CID 103391068
tert-butyl N-[2-[(1-hydroxy-4-methylpentan-2-yl)amino]propyl]carbamate
CID 103389494
tert-butyl N-[2-[[(2S)-1-hydroxybutan-2-yl]amino]propyl]carbamate
CID 103391216
tert-butyl N-[4-methyl-2-(5-methylhexan-2-ylamino)pentyl]carbamate
CID 107252263

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(4-methylsulfanylbutan-2-ylamino)propyl]carbamate?
The IUPAC name of tert-butyl N-[2-(4-methylsulfanylbutan-2-ylamino)propyl]carbamate (CID 103390979) is tert-butyl N-[2-(4-methylsulfanylbutan-2-ylamino)propyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(4-methylsulfanylbutan-2-ylamino)propyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(4-methylsulfanylbutan-2-ylamino)propyl]carbamate is CSCCC(C)NC(C)CNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[2-(4-methylsulfanylbutan-2-ylamino)propyl]carbamate?
The InChIKey is MABWOKDYHLXUBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O2S/c1-10(7-8-18-6)15-11(2)9-14-12(16)17-13(3,4)5/h10-11,15H,7-9H2,1-6H3,(H,14,16).
What are the key properties of tert-butyl N-[2-(4-methylsulfanylbutan-2-ylamino)propyl]carbamate?
tert-butyl N-[2-(4-methylsulfanylbutan-2-ylamino)propyl]carbamate has a molecular weight of 276.45 g/mol, XLogP of 2.63, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(4-methylsulfanylbutan-2-ylamino)propyl]carbamate is sourced from PubChem (CID 103390979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).