methylsulfanyl N-(2-piperidin-1-ylethyl)carbamate

C9H18N2O2S — CID 166765455

IUPACmethylsulfanyl N-(2-piperidin-1-ylethyl)carbamate
SMILESCSOC(=O)NCCN1CCCCC1
InChIInChI=1S/C9H18N2O2S/c1-14-13-9(12)10-5-8-11-6-3-2-4-7-11/h2-8H2,1H3,(H,10,12)
InChIKeyVIXNWYMOUGPMBH-UHFFFAOYSA-N
MW218.32 g/mol
LogP1.48
Rot. Bonds4

About methylsulfanyl N-(2-piperidin-1-ylethyl)carbamate

methylsulfanyl N-(2-piperidin-1-ylethyl)carbamate (PubChem CID 166765455) has the molecular formula C9H18N2O2S and a molecular weight of 218.32 g/mol. Its IUPAC name is methylsulfanyl N-(2-piperidin-1-ylethyl)carbamate.

Molecular Properties

Compound Namemethylsulfanyl N-(2-piperidin-1-ylethyl)carbamate
PubChem CID166765455
Molecular FormulaC9H18N2O2S
Molecular Weight218.32 g/mol
Exact Mass218.11
IUPAC Namemethylsulfanyl N-(2-piperidin-1-ylethyl)carbamate
SMILESCSOC(=O)NCCN1CCCCC1
InChIInChI=1S/C9H18N2O2S/c1-14-13-9(12)10-5-8-11-6-3-2-4-7-11/h2-8H2,1H3,(H,10,12)
InChIKeyVIXNWYMOUGPMBH-UHFFFAOYSA-N
XLogP1.48
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.32
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl N-(4-piperidin-1-ylbutyl)carbamate
CID 97356284
methyl 2-oxo-2-(2-piperidin-1-ylethylamino)acetate
CID 112616960
3-oxo-N,N'-bis(2-pyrrolidin-1-ylethyl)pentanediamide
CID 20664926
ethane;N-(2-piperidin-1-ylethyl)propanamide
CID 143432690
2-amino-3-methyl-N-(2-piperidin-1-ylethyl)pentanamide
CID 54967720
2,2-difluoro-N-(2-pyrrolidin-1-ylethyl)acetamide
CID 103514781
tert-butyl N-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl-(2-piperidin-1-ylethyl)amino]ethyl]carbamate
CID 151865533
N-[2-(azepan-1-yl)ethyl]-2-(propan-2-ylamino)acetamide
CID 61240012
1,1-diethyl-3-(2-piperidin-1-ylethyl)urea
CID 115583735
N-[2-(azepan-1-yl)ethyl]-2-propan-2-yloxyacetamide
CID 112686819
tert-butyl N-[2-(2-pyrrolidin-1-ylethylamino)ethyl]carbamate
CID 19420462
2-pyrrolidin-1-ylethylurea;dihydrochloride
CID 174538220

Frequently Asked Questions

What is the IUPAC name of methylsulfanyl N-(2-piperidin-1-ylethyl)carbamate?
The IUPAC name of methylsulfanyl N-(2-piperidin-1-ylethyl)carbamate (CID 166765455) is methylsulfanyl N-(2-piperidin-1-ylethyl)carbamate.
What is the SMILES notation for methylsulfanyl N-(2-piperidin-1-ylethyl)carbamate?
The canonical SMILES for methylsulfanyl N-(2-piperidin-1-ylethyl)carbamate is CSOC(=O)NCCN1CCCCC1.
What is the InChIKey of methylsulfanyl N-(2-piperidin-1-ylethyl)carbamate?
The InChIKey is VIXNWYMOUGPMBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2S/c1-14-13-9(12)10-5-8-11-6-3-2-4-7-11/h2-8H2,1H3,(H,10,12).
What are the key properties of methylsulfanyl N-(2-piperidin-1-ylethyl)carbamate?
methylsulfanyl N-(2-piperidin-1-ylethyl)carbamate has a molecular weight of 218.32 g/mol, XLogP of 1.48, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methylsulfanyl N-(2-piperidin-1-ylethyl)carbamate is sourced from PubChem (CID 166765455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).