tert-butyl N-[2-[(6-methylsulfonyl-3-pyridinyl)amino]propyl]carbamate

C14H23N3O4S — CID 103387988

IUPACtert-butyl N-[2-[(6-methylsulfonyl-3-pyridinyl)amino]propyl]carbamate
SMILESCC(CNC(=O)OC(C)(C)C)Nc1ccc(S(C)(=O)=O)nc1
InChIInChI=1S/C14H23N3O4S/c1-10(8-16-13(18)21-14(2,3)4)17-11-6-7-12(15-9-11)22(5,19)20/h6-7,9-10,17H,8H2,1-5H3,(H,16,18)
InChIKeyKICCCUZOJUNEAR-UHFFFAOYSA-N
MW329.42 g/mol
LogP1.81
Rot. Bonds5

About tert-butyl N-[2-[(6-methylsulfonyl-3-pyridinyl)amino]propyl]carbamate

tert-butyl N-[2-[(6-methylsulfonyl-3-pyridinyl)amino]propyl]carbamate (PubChem CID 103387988) has the molecular formula C14H23N3O4S and a molecular weight of 329.42 g/mol. Its IUPAC name is tert-butyl N-[2-[(6-methylsulfonyl-3-pyridinyl)amino]propyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[(6-methylsulfonyl-3-pyridinyl)amino]propyl]carbamate
PubChem CID103387988
Molecular FormulaC14H23N3O4S
Molecular Weight329.42 g/mol
Exact Mass329.14
IUPAC Nametert-butyl N-[2-[(6-methylsulfonyl-3-pyridinyl)amino]propyl]carbamate
SMILESCC(CNC(=O)OC(C)(C)C)Nc1ccc(S(C)(=O)=O)nc1
InChIInChI=1S/C14H23N3O4S/c1-10(8-16-13(18)21-14(2,3)4)17-11-6-7-12(15-9-11)22(5,19)20/h6-7,9-10,17H,8H2,1-5H3,(H,16,18)
InChIKeyKICCCUZOJUNEAR-UHFFFAOYSA-N
XLogP1.81
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.42
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze tert-butyl N-[2-[(6-methylsulfonyl-3-pyridinyl)amino]propyl]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-(1-methylsulfonylpropan-2-ylamino)-2-pyridinyl]carbamate
CID 103936587
N-butan-2-yl-6-methylsulfonylpyridin-3-amine
CID 43675267
tert-butyl N-[2-(3,5-dimethylanilino)propyl]carbamate
CID 103387276
2-methyl-3-[(6-methylsulfonyl-3-pyridinyl)amino]butan-2-ol
CID 65338019
tert-butyl N-[2-[4-(ethylcarbamoyl)anilino]propyl]carbamate
CID 103388662
tert-butyl N-[2-(3-bromo-4-methylanilino)propyl]carbamate
CID 103389943
tert-butyl N-[2-[4-(1H-imidazol-5-yl)anilino]propyl]carbamate
CID 103388551
tert-butyl N-[2-[4-(2-cyanopropan-2-yl)anilino]propyl]carbamate
CID 103387974
tert-butyl N-[2-(4-ethoxy-3-methoxyanilino)propyl]carbamate
CID 103388467
tert-butyl N-[2-(4-acetamido-3-methylanilino)propyl]carbamate
CID 103387940
tert-butyl N-[2-(propan-2-ylamino)propyl]carbamate
CID 103386965
tert-butyl N-[2-[4-chloro-3-(trifluoromethyl)anilino]propyl]carbamate
CID 103387744

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[(6-methylsulfonyl-3-pyridinyl)amino]propyl]carbamate?
The IUPAC name of tert-butyl N-[2-[(6-methylsulfonyl-3-pyridinyl)amino]propyl]carbamate (CID 103387988) is tert-butyl N-[2-[(6-methylsulfonyl-3-pyridinyl)amino]propyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[(6-methylsulfonyl-3-pyridinyl)amino]propyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[(6-methylsulfonyl-3-pyridinyl)amino]propyl]carbamate is CC(CNC(=O)OC(C)(C)C)Nc1ccc(S(C)(=O)=O)nc1.
What is the InChIKey of tert-butyl N-[2-[(6-methylsulfonyl-3-pyridinyl)amino]propyl]carbamate?
The InChIKey is KICCCUZOJUNEAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O4S/c1-10(8-16-13(18)21-14(2,3)4)17-11-6-7-12(15-9-11)22(5,19)20/h6-7,9-10,17H,8H2,1-5H3,(H,16,18).
What are the key properties of tert-butyl N-[2-[(6-methylsulfonyl-3-pyridinyl)amino]propyl]carbamate?
tert-butyl N-[2-[(6-methylsulfonyl-3-pyridinyl)amino]propyl]carbamate has a molecular weight of 329.42 g/mol, XLogP of 1.81, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[(6-methylsulfonyl-3-pyridinyl)amino]propyl]carbamate is sourced from PubChem (CID 103387988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).