2-[(3-methylsulfonylcyclohexyl)amino]ethyl carbamate

C10H20N2O4S — CID 83211078

IUPAC2-[(3-methylsulfonylcyclohexyl)amino]ethyl carbamate
SMILESCS(=O)(=O)C1CCCC(NCCOC(N)=O)C1
InChIInChI=1S/C10H20N2O4S/c1-17(14,15)9-4-2-3-8(7-9)12-5-6-16-10(11)13/h8-9,12H,2-7H2,1H3,(H2,11,13)
InChIKeyMDPVRUZFVJOBTP-UHFFFAOYSA-N
MW264.35 g/mol
LogP0.03
Rot. Bonds5

About 2-[(3-methylsulfonylcyclohexyl)amino]ethyl carbamate

2-[(3-methylsulfonylcyclohexyl)amino]ethyl carbamate (PubChem CID 83211078) has the molecular formula C10H20N2O4S and a molecular weight of 264.35 g/mol. Its IUPAC name is 2-[(3-methylsulfonylcyclohexyl)amino]ethyl carbamate.

Molecular Properties

Compound Name2-[(3-methylsulfonylcyclohexyl)amino]ethyl carbamate
PubChem CID83211078
Molecular FormulaC10H20N2O4S
Molecular Weight264.35 g/mol
Exact Mass264.11
IUPAC Name2-[(3-methylsulfonylcyclohexyl)amino]ethyl carbamate
SMILESCS(=O)(=O)C1CCCC(NCCOC(N)=O)C1
InChIInChI=1S/C10H20N2O4S/c1-17(14,15)9-4-2-3-8(7-9)12-5-6-16-10(11)13/h8-9,12H,2-7H2,1H3,(H2,11,13)
InChIKeyMDPVRUZFVJOBTP-UHFFFAOYSA-N
XLogP0.03
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 50.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-methylsulfonylcyclohexyl)amino]ethyl carbamate?
The IUPAC name of 2-[(3-methylsulfonylcyclohexyl)amino]ethyl carbamate (CID 83211078) is 2-[(3-methylsulfonylcyclohexyl)amino]ethyl carbamate.
What is the SMILES notation for 2-[(3-methylsulfonylcyclohexyl)amino]ethyl carbamate?
The canonical SMILES for 2-[(3-methylsulfonylcyclohexyl)amino]ethyl carbamate is CS(=O)(=O)C1CCCC(NCCOC(N)=O)C1.
What is the InChIKey of 2-[(3-methylsulfonylcyclohexyl)amino]ethyl carbamate?
The InChIKey is MDPVRUZFVJOBTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O4S/c1-17(14,15)9-4-2-3-8(7-9)12-5-6-16-10(11)13/h8-9,12H,2-7H2,1H3,(H2,11,13).
What are the key properties of 2-[(3-methylsulfonylcyclohexyl)amino]ethyl carbamate?
2-[(3-methylsulfonylcyclohexyl)amino]ethyl carbamate has a molecular weight of 264.35 g/mol, XLogP of 0.03, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methylsulfonylcyclohexyl)amino]ethyl carbamate is sourced from PubChem (CID 83211078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).