tert-butyl N-(4-methylsulfanylbutylamino)carbamate

C10H22N2O2S — CID 107237275

IUPACtert-butyl N-(4-methylsulfanylbutylamino)carbamate
SMILESCSCCCCNNC(=O)OC(C)(C)C
InChIInChI=1S/C10H22N2O2S/c1-10(2,3)14-9(13)12-11-7-5-6-8-15-4/h11H,5-8H2,1-4H3,(H,12,13)
InChIKeyDNWJGMJRUGHSOI-UHFFFAOYSA-N
MW234.36 g/mol
LogP2.16
Rot. Bonds6

About tert-butyl N-(4-methylsulfanylbutylamino)carbamate

tert-butyl N-(4-methylsulfanylbutylamino)carbamate (PubChem CID 107237275) has the molecular formula C10H22N2O2S and a molecular weight of 234.36 g/mol. Its IUPAC name is tert-butyl N-(4-methylsulfanylbutylamino)carbamate.

Molecular Properties

Compound Nametert-butyl N-(4-methylsulfanylbutylamino)carbamate
PubChem CID107237275
Molecular FormulaC10H22N2O2S
Molecular Weight234.36 g/mol
Exact Mass234.14
IUPAC Nametert-butyl N-(4-methylsulfanylbutylamino)carbamate
SMILESCSCCCCNNC(=O)OC(C)(C)C
InChIInChI=1S/C10H22N2O2S/c1-10(2,3)14-9(13)12-11-7-5-6-8-15-4/h11H,5-8H2,1-4H3,(H,12,13)
InChIKeyDNWJGMJRUGHSOI-UHFFFAOYSA-N
XLogP2.16
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.36
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-(octylamino)carbamate
CID 107237086
tert-butyl N-[3-(5-methylsulfanylpentylamino)propyl]carbamate
CID 107095523
tert-butyl 3-(4-methylsulfanylbutylamino)propanoate
CID 103264069
tert-butyl N-[2-(4-methylsulfanylbutylamino)cyclopropyl]carbamate
CID 107238133
tert-butyl N-(2-methoxyethylamino)carbamate
CID 87253859
methyl N-(4-methylsulfanylbutyl)carbamate
CID 115637048
2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-5-methylsulfanyl-2-propylpentanoic acid
CID 106488353
tert-butyl N-[2-(2-aminoethoxy)ethylamino]carbamate
CID 150569720
tert-butyl N-[2-[[N-ethyl-N'-(4-methylsulfanylbutyl)carbamimidoyl]amino]ethyl]carbamate
CID 111626194
tert-butyl N-[3-methyl-2-[(3-methylsulfanylpropylamino)methyl]butyl]carbamate
CID 107442261
tert-butyl N-[4-methoxy-2-(4-methylsulfanylbutylamino)phenyl]carbamate
CID 107239738
tert-butyl N-[(3-ethoxy-3-methylbutyl)amino]carbamate
CID 134511015

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(4-methylsulfanylbutylamino)carbamate?
The IUPAC name of tert-butyl N-(4-methylsulfanylbutylamino)carbamate (CID 107237275) is tert-butyl N-(4-methylsulfanylbutylamino)carbamate.
What is the SMILES notation for tert-butyl N-(4-methylsulfanylbutylamino)carbamate?
The canonical SMILES for tert-butyl N-(4-methylsulfanylbutylamino)carbamate is CSCCCCNNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-(4-methylsulfanylbutylamino)carbamate?
The InChIKey is DNWJGMJRUGHSOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O2S/c1-10(2,3)14-9(13)12-11-7-5-6-8-15-4/h11H,5-8H2,1-4H3,(H,12,13).
What are the key properties of tert-butyl N-(4-methylsulfanylbutylamino)carbamate?
tert-butyl N-(4-methylsulfanylbutylamino)carbamate has a molecular weight of 234.36 g/mol, XLogP of 2.16, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(4-methylsulfanylbutylamino)carbamate is sourced from PubChem (CID 107237275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).