tert-butyl N-[2-[(5-methylthiolan-3-yl)amino]cyclopropyl]carbamate

C13H24N2O2S — CID 107237589

IUPACtert-butyl N-[2-[(5-methylthiolan-3-yl)amino]cyclopropyl]carbamate
SMILESCC1CC(NC2CC2NC(=O)OC(C)(C)C)CS1
InChIInChI=1S/C13H24N2O2S/c1-8-5-9(7-18-8)14-10-6-11(10)15-12(16)17-13(2,3)4/h8-11,14H,5-7H2,1-4H3,(H,15,16)
InChIKeyAZPWLSSFSHKTMW-UHFFFAOYSA-N
MW272.41 g/mol
LogP2.14
Rot. Bonds3

About tert-butyl N-[2-[(5-methylthiolan-3-yl)amino]cyclopropyl]carbamate

tert-butyl N-[2-[(5-methylthiolan-3-yl)amino]cyclopropyl]carbamate (PubChem CID 107237589) has the molecular formula C13H24N2O2S and a molecular weight of 272.41 g/mol. Its IUPAC name is tert-butyl N-[2-[(5-methylthiolan-3-yl)amino]cyclopropyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[(5-methylthiolan-3-yl)amino]cyclopropyl]carbamate
PubChem CID107237589
Molecular FormulaC13H24N2O2S
Molecular Weight272.41 g/mol
Exact Mass272.16
IUPAC Nametert-butyl N-[2-[(5-methylthiolan-3-yl)amino]cyclopropyl]carbamate
SMILESCC1CC(NC2CC2NC(=O)OC(C)(C)C)CS1
InChIInChI=1S/C13H24N2O2S/c1-8-5-9(7-18-8)14-10-6-11(10)15-12(16)17-13(2,3)4/h8-11,14H,5-7H2,1-4H3,(H,15,16)
InChIKeyAZPWLSSFSHKTMW-UHFFFAOYSA-N
XLogP2.14
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.41
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze tert-butyl N-[2-[(5-methylthiolan-3-yl)amino]cyclopropyl]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-[2-[(3-methoxycyclobutyl)amino]cyclopropyl]carbamate
CID 107238333
tert-butyl N-[2-[(3-methylcyclohexyl)amino]cyclopropyl]carbamate
CID 107238142
tert-butyl N-[2-[(5,5-dimethylthian-3-yl)amino]cyclopropyl]carbamate
CID 107238022
tert-butyl N-[2-[(3,3,5-trimethylcyclohexyl)amino]cyclopropyl]carbamate
CID 107237944
tert-butyl N-[(1R,2R)-2-methylcyclopropyl]carbamate
CID 121309332
tert-butyl N-[2-[[4-(trifluoromethyl)cyclohexyl]amino]cyclopropyl]carbamate
CID 107238283
tert-butyl 3-[(5-methylthiolan-3-yl)amino]-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 107244892
tert-butyl 3-[(5-methylthiolan-3-yl)amino]pyrrolidine-1-carboxylate
CID 107239329
tert-butyl N-[2-[(1,2,5-trimethylpiperidin-4-yl)amino]cyclopropyl]carbamate
CID 107237764
tert-butyl N-[2-[(4-propan-2-ylcycloheptyl)amino]cyclopropyl]carbamate
CID 107237703
tert-butyl N-[2-[(3-ethylcyclohexyl)amino]cyclopropyl]carbamate
CID 107237906
tert-butyl N-[2-[(4,4-dimethylthian-3-yl)amino]cyclopropyl]carbamate
CID 107237709

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[(5-methylthiolan-3-yl)amino]cyclopropyl]carbamate?
The IUPAC name of tert-butyl N-[2-[(5-methylthiolan-3-yl)amino]cyclopropyl]carbamate (CID 107237589) is tert-butyl N-[2-[(5-methylthiolan-3-yl)amino]cyclopropyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[(5-methylthiolan-3-yl)amino]cyclopropyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[(5-methylthiolan-3-yl)amino]cyclopropyl]carbamate is CC1CC(NC2CC2NC(=O)OC(C)(C)C)CS1.
What is the InChIKey of tert-butyl N-[2-[(5-methylthiolan-3-yl)amino]cyclopropyl]carbamate?
The InChIKey is AZPWLSSFSHKTMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2S/c1-8-5-9(7-18-8)14-10-6-11(10)15-12(16)17-13(2,3)4/h8-11,14H,5-7H2,1-4H3,(H,15,16).
What are the key properties of tert-butyl N-[2-[(5-methylthiolan-3-yl)amino]cyclopropyl]carbamate?
tert-butyl N-[2-[(5-methylthiolan-3-yl)amino]cyclopropyl]carbamate has a molecular weight of 272.41 g/mol, XLogP of 2.14, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[(5-methylthiolan-3-yl)amino]cyclopropyl]carbamate is sourced from PubChem (CID 107237589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).