(3-amino-3-sulfanylidenepropyl) N-tert-butylcarbamate

C8H16N2O2S — CID 142744871

IUPAC(3-amino-3-sulfanylidenepropyl) N-tert-butylcarbamate
SMILESCC(C)(C)NC(=O)OCCC(N)=S
InChIInChI=1S/C8H16N2O2S/c1-8(2,3)10-7(11)12-5-4-6(9)13/h4-5H2,1-3H3,(H2,9,13)(H,10,11)
InChIKeyIKBPHVPSYPAGBJ-UHFFFAOYSA-N
MW204.29 g/mol
LogP1.19
Rot. Bonds3

About (3-amino-3-sulfanylidenepropyl) N-tert-butylcarbamate

(3-amino-3-sulfanylidenepropyl) N-tert-butylcarbamate (PubChem CID 142744871) has the molecular formula C8H16N2O2S and a molecular weight of 204.29 g/mol. Its IUPAC name is (3-amino-3-sulfanylidenepropyl) N-tert-butylcarbamate.

Molecular Properties

Compound Name(3-amino-3-sulfanylidenepropyl) N-tert-butylcarbamate
PubChem CID142744871
Molecular FormulaC8H16N2O2S
Molecular Weight204.29 g/mol
Exact Mass204.09
IUPAC Name(3-amino-3-sulfanylidenepropyl) N-tert-butylcarbamate
SMILESCC(C)(C)NC(=O)OCCC(N)=S
InChIInChI=1S/C8H16N2O2S/c1-8(2,3)10-7(11)12-5-4-6(9)13/h4-5H2,1-3H3,(H2,9,13)(H,10,11)
InChIKeyIKBPHVPSYPAGBJ-UHFFFAOYSA-N
XLogP1.19
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.29
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (3-amino-3-sulfanylidenepropyl) N-tert-butylcarbamate 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

2-(tert-butylcarbamoyloxy)ethyl N-tert-butylcarbamate
CID 176596941
2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl N-tert-butylcarbamate
CID 129320050
2-propan-2-yloxyethyl N-tert-butylcarbamate
CID 174652774
2,2-dimethylpropyl N-tert-butylcarbamate
CID 11171443
2-(2-iodoethoxy)ethyl N-tert-butylcarbamate
CID 91125115
2-ethylsulfanylethyl N-tert-butylcarbamate
CID 174520312
2-(3-azabicyclo[3.1.0]hexan-6-yl)ethyl N-tert-butylcarbamate
CID 90924867
2-[methyl-[2-(methylcarbamoyloxy)ethyl]amino]ethyl N-tert-butylcarbamate
CID 91281595
3-(propan-2-ylamino)propyl N-tert-butylcarbamate
CID 79337530
2-methoxypropyl N-tert-butylcarbamate
CID 174838814
2-(prop-2-enoylamino)ethyl N-tert-butylcarbamate
CID 143586644
2,2-difluoroethyl N-tert-butylcarbamate
CID 174785314

Frequently Asked Questions

What is the IUPAC name of (3-amino-3-sulfanylidenepropyl) N-tert-butylcarbamate?
The IUPAC name of (3-amino-3-sulfanylidenepropyl) N-tert-butylcarbamate (CID 142744871) is (3-amino-3-sulfanylidenepropyl) N-tert-butylcarbamate.
What is the SMILES notation for (3-amino-3-sulfanylidenepropyl) N-tert-butylcarbamate?
The canonical SMILES for (3-amino-3-sulfanylidenepropyl) N-tert-butylcarbamate is CC(C)(C)NC(=O)OCCC(N)=S.
What is the InChIKey of (3-amino-3-sulfanylidenepropyl) N-tert-butylcarbamate?
The InChIKey is IKBPHVPSYPAGBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O2S/c1-8(2,3)10-7(11)12-5-4-6(9)13/h4-5H2,1-3H3,(H2,9,13)(H,10,11).
What are the key properties of (3-amino-3-sulfanylidenepropyl) N-tert-butylcarbamate?
(3-amino-3-sulfanylidenepropyl) N-tert-butylcarbamate has a molecular weight of 204.29 g/mol, XLogP of 1.19, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-3-sulfanylidenepropyl) N-tert-butylcarbamate is sourced from PubChem (CID 142744871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).