tert-butyl 4-[cyclopropyl-(sulfanylamino)methyl]piperidine-1-carboxylate

C14H26N2O2S — CID 142509299

IUPACtert-butyl 4-[cyclopropyl-(sulfanylamino)methyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(C(NS)C2CC2)CC1
InChIInChI=1S/C14H26N2O2S/c1-14(2,3)18-13(17)16-8-6-11(7-9-16)12(15-19)10-4-5-10/h10-12,15,19H,4-9H2,1-3H3
InChIKeyUFRXRGDIZIKETK-UHFFFAOYSA-N
MW286.44 g/mol
LogP2.85
Rot. Bonds3

About tert-butyl 4-[cyclopropyl-(sulfanylamino)methyl]piperidine-1-carboxylate

tert-butyl 4-[cyclopropyl-(sulfanylamino)methyl]piperidine-1-carboxylate (PubChem CID 142509299) has the molecular formula C14H26N2O2S and a molecular weight of 286.44 g/mol. Its IUPAC name is tert-butyl 4-[cyclopropyl-(sulfanylamino)methyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[cyclopropyl-(sulfanylamino)methyl]piperidine-1-carboxylate
PubChem CID142509299
Molecular FormulaC14H26N2O2S
Molecular Weight286.44 g/mol
Exact Mass286.17
IUPAC Nametert-butyl 4-[cyclopropyl-(sulfanylamino)methyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(C(NS)C2CC2)CC1
InChIInChI=1S/C14H26N2O2S/c1-14(2,3)18-13(17)16-8-6-11(7-9-16)12(15-19)10-4-5-10/h10-12,15,19H,4-9H2,1-3H3
InChIKeyUFRXRGDIZIKETK-UHFFFAOYSA-N
XLogP2.85
TPSA41.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.44
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze tert-butyl 4-[cyclopropyl-(sulfanylamino)methyl]piperidine-1-carboxylate 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 4-[cyclopropyl-(sulfanylamino)methyl]piperidine-1-carboxylate;2-methylpropane
CID 142509298
tert-butyl 4-propan-2-ylpiperidine-1-carboxylate
CID 22899309
tert-butyl 4-[(1S)-1-sulfanylethyl]piperidine-1-carboxylate
CID 97176087
tert-butyl 4-[(1S)-1-iodoethyl]piperidine-1-carboxylate
CID 97175280
tert-butyl 4-[(2R)-1-methoxy-1-oxopropan-2-yl]piperidine-1-carboxylate
CID 124583758
tert-butyl 4-[(1R,2S)-2-amino-1-hydroxybutyl]piperidine-1-carboxylate
CID 86336778
tert-butyl 4-[(2S)-1-methoxy-1-oxopropan-2-yl]piperidine-1-carboxylate
CID 124583757
tert-butyl 4-(1-cyclopropylethylamino)piperidine-1-carboxylate
CID 43652193
tert-butyl 4-[1-hydroxy-2-(propan-2-ylamino)ethyl]piperidine-1-carboxylate
CID 129073944
tert-butyl 4-(1,3-dihydroxypropyl)piperidine-1-carboxylate
CID 22293485
tert-butyl 4-[1-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]piperidine-1-carboxylate
CID 59868425
tert-butyl 4-[(2R)-2-hydroxypropyl]piperidine-1-carboxylate
CID 70116186

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[cyclopropyl-(sulfanylamino)methyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[cyclopropyl-(sulfanylamino)methyl]piperidine-1-carboxylate (CID 142509299) is tert-butyl 4-[cyclopropyl-(sulfanylamino)methyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[cyclopropyl-(sulfanylamino)methyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[cyclopropyl-(sulfanylamino)methyl]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(C(NS)C2CC2)CC1.
What is the InChIKey of tert-butyl 4-[cyclopropyl-(sulfanylamino)methyl]piperidine-1-carboxylate?
The InChIKey is UFRXRGDIZIKETK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2S/c1-14(2,3)18-13(17)16-8-6-11(7-9-16)12(15-19)10-4-5-10/h10-12,15,19H,4-9H2,1-3H3.
What are the key properties of tert-butyl 4-[cyclopropyl-(sulfanylamino)methyl]piperidine-1-carboxylate?
tert-butyl 4-[cyclopropyl-(sulfanylamino)methyl]piperidine-1-carboxylate has a molecular weight of 286.44 g/mol, XLogP of 2.85, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[cyclopropyl-(sulfanylamino)methyl]piperidine-1-carboxylate is sourced from PubChem (CID 142509299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).