tert-butyl N-[2-[(4,4-dimethylthian-3-yl)amino]cyclopropyl]carbamate

C15H28N2O2S — CID 107237709

IUPACtert-butyl N-[2-[(4,4-dimethylthian-3-yl)amino]cyclopropyl]carbamate
SMILESCC(C)(C)OC(=O)NC1CC1NC1CSCCC1(C)C
InChIInChI=1S/C15H28N2O2S/c1-14(2,3)19-13(18)17-11-8-10(11)16-12-9-20-7-6-15(12,4)5/h10-12,16H,6-9H2,1-5H3,(H,17,18)
InChIKeyHRMZEKCEHPWLOW-UHFFFAOYSA-N
MW300.47 g/mol
LogP2.77
Rot. Bonds3

About tert-butyl N-[2-[(4,4-dimethylthian-3-yl)amino]cyclopropyl]carbamate

tert-butyl N-[2-[(4,4-dimethylthian-3-yl)amino]cyclopropyl]carbamate (PubChem CID 107237709) has the molecular formula C15H28N2O2S and a molecular weight of 300.47 g/mol. Its IUPAC name is tert-butyl N-[2-[(4,4-dimethylthian-3-yl)amino]cyclopropyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[(4,4-dimethylthian-3-yl)amino]cyclopropyl]carbamate
PubChem CID107237709
Molecular FormulaC15H28N2O2S
Molecular Weight300.47 g/mol
Exact Mass300.19
IUPAC Nametert-butyl N-[2-[(4,4-dimethylthian-3-yl)amino]cyclopropyl]carbamate
SMILESCC(C)(C)OC(=O)NC1CC1NC1CSCCC1(C)C
InChIInChI=1S/C15H28N2O2S/c1-14(2,3)19-13(18)17-11-8-10(11)16-12-9-20-7-6-15(12,4)5/h10-12,16H,6-9H2,1-5H3,(H,17,18)
InChIKeyHRMZEKCEHPWLOW-UHFFFAOYSA-N
XLogP2.77
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.47
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze tert-butyl N-[2-[(4,4-dimethylthian-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-hydroxy-2,2-dimethylcyclobutyl)amino]cyclopropyl]carbamate
CID 107237603
tert-butyl (4S)-3-[(4,4-dimethylthian-3-yl)amino]-4-methoxypyrrolidine-1-carboxylate
CID 107244803
tert-butyl N-[2-[(4,4-dimethylthian-3-yl)amino]ethyl]carbamate
CID 107241345
tert-butyl N-[2-[(5,5-dimethylthian-3-yl)amino]cyclopropyl]carbamate
CID 107238022
tert-butyl N-[2-[(5-methylthiolan-3-yl)amino]cyclopropyl]carbamate
CID 107237589
tert-butyl N-[2-[(3-methoxycyclobutyl)amino]cyclopropyl]carbamate
CID 107238333
tert-butyl N-[4-[(2,2-dimethylcyclopentyl)amino]cyclohexyl]carbamate
CID 103738428
tert-butyl N-[2-[(3,3,5-trimethylcyclohexyl)amino]cyclopropyl]carbamate
CID 107237944
tert-butyl N-(2,2-dimethylcyclopropyl)carbamate
CID 65142866
3-[(2-methylpropan-2-yl)oxycarbonylamino]thiane-4-carboxylic acid
CID 21362472
tert-butyl N-[(1R,2R)-2-methylcyclopropyl]carbamate
CID 121309332
tert-butyl N-[2-[[4-(trifluoromethyl)cyclohexyl]amino]cyclopropyl]carbamate
CID 107238283

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[(4,4-dimethylthian-3-yl)amino]cyclopropyl]carbamate?
The IUPAC name of tert-butyl N-[2-[(4,4-dimethylthian-3-yl)amino]cyclopropyl]carbamate (CID 107237709) is tert-butyl N-[2-[(4,4-dimethylthian-3-yl)amino]cyclopropyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[(4,4-dimethylthian-3-yl)amino]cyclopropyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[(4,4-dimethylthian-3-yl)amino]cyclopropyl]carbamate is CC(C)(C)OC(=O)NC1CC1NC1CSCCC1(C)C.
What is the InChIKey of tert-butyl N-[2-[(4,4-dimethylthian-3-yl)amino]cyclopropyl]carbamate?
The InChIKey is HRMZEKCEHPWLOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2S/c1-14(2,3)19-13(18)17-11-8-10(11)16-12-9-20-7-6-15(12,4)5/h10-12,16H,6-9H2,1-5H3,(H,17,18).
What are the key properties of tert-butyl N-[2-[(4,4-dimethylthian-3-yl)amino]cyclopropyl]carbamate?
tert-butyl N-[2-[(4,4-dimethylthian-3-yl)amino]cyclopropyl]carbamate has a molecular weight of 300.47 g/mol, XLogP of 2.77, 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-[(4,4-dimethylthian-3-yl)amino]cyclopropyl]carbamate is sourced from PubChem (CID 107237709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).