tert-butyl N-[5-methoxy-4-(4-methylsulfinylbutan-2-ylamino)pentyl]carbamate

C16H34N2O4S — CID 103391054

IUPACtert-butyl N-[5-methoxy-4-(4-methylsulfinylbutan-2-ylamino)pentyl]carbamate
SMILESCOCC(CCCNC(=O)OC(C)(C)C)NC(C)CCS(C)=O
InChIInChI=1S/C16H34N2O4S/c1-13(9-11-23(6)20)18-14(12-21-5)8-7-10-17-15(19)22-16(2,3)4/h13-14,18H,7-12H2,1-6H3,(H,17,19)
InChIKeyIQXJNASPNWGDDQ-UHFFFAOYSA-N
MW350.53 g/mol
LogP2.05
Rot. Bonds11

About tert-butyl N-[5-methoxy-4-(4-methylsulfinylbutan-2-ylamino)pentyl]carbamate

tert-butyl N-[5-methoxy-4-(4-methylsulfinylbutan-2-ylamino)pentyl]carbamate (PubChem CID 103391054) has the molecular formula C16H34N2O4S and a molecular weight of 350.53 g/mol. Its IUPAC name is tert-butyl N-[5-methoxy-4-(4-methylsulfinylbutan-2-ylamino)pentyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[5-methoxy-4-(4-methylsulfinylbutan-2-ylamino)pentyl]carbamate
PubChem CID103391054
Molecular FormulaC16H34N2O4S
Molecular Weight350.53 g/mol
Exact Mass350.22
IUPAC Nametert-butyl N-[5-methoxy-4-(4-methylsulfinylbutan-2-ylamino)pentyl]carbamate
SMILESCOCC(CCCNC(=O)OC(C)(C)C)NC(C)CCS(C)=O
InChIInChI=1S/C16H34N2O4S/c1-13(9-11-23(6)20)18-14(12-21-5)8-7-10-17-15(19)22-16(2,3)4/h13-14,18H,7-12H2,1-6H3,(H,17,19)
InChIKeyIQXJNASPNWGDDQ-UHFFFAOYSA-N
XLogP2.05
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.53
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze tert-butyl N-[5-methoxy-4-(4-methylsulfinylbutan-2-ylamino)pentyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl N-[5-methoxy-4-(5-methylhexan-2-ylamino)pentyl]carbamate
CID 103387404
tert-butyl N-[5-methoxy-4-(propan-2-ylamino)pentyl]carbamate
CID 103386966
tert-butyl N-[4-(3,3-dimethylbutan-2-ylamino)-5-methoxypentyl]carbamate
CID 103390924
tert-butyl N-[4-[(1-hydroxy-3-methylbutan-2-yl)amino]-5-methoxypentyl]carbamate
CID 103390318
tert-butyl N-[5-methoxy-4-(2-methylpropylamino)pentyl]carbamate
CID 103386975
tert-butyl N-[4-[[(1R)-1-(furan-2-yl)ethyl]amino]-5-methoxypentyl]carbamate
CID 103390562
tert-butyl N-[4-(2,3-dimethylbutylamino)-5-methoxypentyl]carbamate
CID 103390094
tert-butyl N-[4-(hex-5-yn-3-ylamino)-5-methoxypentyl]carbamate
CID 103390984
tert-butyl N-[4-[(2-hydroxy-2-methylpropyl)amino]-5-methoxypentyl]carbamate
CID 103390147
tert-butyl N-(4-methylsulfinylbutyl)carbamate
CID 176958656
tert-butyl N-[5-methoxy-4-[1-(2H-tetrazol-5-yl)ethylamino]pentyl]carbamate
CID 103389670
tert-butyl N-[5-methoxy-4-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]pentyl]carbamate
CID 103387888

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[5-methoxy-4-(4-methylsulfinylbutan-2-ylamino)pentyl]carbamate?
The IUPAC name of tert-butyl N-[5-methoxy-4-(4-methylsulfinylbutan-2-ylamino)pentyl]carbamate (CID 103391054) is tert-butyl N-[5-methoxy-4-(4-methylsulfinylbutan-2-ylamino)pentyl]carbamate.
What is the SMILES notation for tert-butyl N-[5-methoxy-4-(4-methylsulfinylbutan-2-ylamino)pentyl]carbamate?
The canonical SMILES for tert-butyl N-[5-methoxy-4-(4-methylsulfinylbutan-2-ylamino)pentyl]carbamate is COCC(CCCNC(=O)OC(C)(C)C)NC(C)CCS(C)=O.
What is the InChIKey of tert-butyl N-[5-methoxy-4-(4-methylsulfinylbutan-2-ylamino)pentyl]carbamate?
The InChIKey is IQXJNASPNWGDDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2O4S/c1-13(9-11-23(6)20)18-14(12-21-5)8-7-10-17-15(19)22-16(2,3)4/h13-14,18H,7-12H2,1-6H3,(H,17,19).
What are the key properties of tert-butyl N-[5-methoxy-4-(4-methylsulfinylbutan-2-ylamino)pentyl]carbamate?
tert-butyl N-[5-methoxy-4-(4-methylsulfinylbutan-2-ylamino)pentyl]carbamate has a molecular weight of 350.53 g/mol, XLogP of 2.05, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[5-methoxy-4-(4-methylsulfinylbutan-2-ylamino)pentyl]carbamate is sourced from PubChem (CID 103391054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).