tert-butyl N-[1-(2-methylsulfonyl-4-pyridinyl)cyclopropyl]carbamate

C14H20N2O4S — CID 67194852

IUPACtert-butyl N-[1-(2-methylsulfonyl-4-pyridinyl)cyclopropyl]carbamate
SMILESCC(C)(C)OC(=O)NC1(c2ccnc(S(C)(=O)=O)c2)CC1
InChIInChI=1S/C14H20N2O4S/c1-13(2,3)20-12(17)16-14(6-7-14)10-5-8-15-11(9-10)21(4,18)19/h5,8-9H,6-7H2,1-4H3,(H,16,17)
InChIKeyBVNUWIWVJCBWNM-UHFFFAOYSA-N
MW312.39 g/mol
LogP2.00
Rot. Bonds3

About tert-butyl N-[1-(2-methylsulfonyl-4-pyridinyl)cyclopropyl]carbamate

tert-butyl N-[1-(2-methylsulfonyl-4-pyridinyl)cyclopropyl]carbamate (PubChem CID 67194852) has the molecular formula C14H20N2O4S and a molecular weight of 312.39 g/mol. Its IUPAC name is tert-butyl N-[1-(2-methylsulfonyl-4-pyridinyl)cyclopropyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-(2-methylsulfonyl-4-pyridinyl)cyclopropyl]carbamate
PubChem CID67194852
Molecular FormulaC14H20N2O4S
Molecular Weight312.39 g/mol
Exact Mass312.11
IUPAC Nametert-butyl N-[1-(2-methylsulfonyl-4-pyridinyl)cyclopropyl]carbamate
SMILESCC(C)(C)OC(=O)NC1(c2ccnc(S(C)(=O)=O)c2)CC1
InChIInChI=1S/C14H20N2O4S/c1-13(2,3)20-12(17)16-14(6-7-14)10-5-8-15-11(9-10)21(4,18)19/h5,8-9H,6-7H2,1-4H3,(H,16,17)
InChIKeyBVNUWIWVJCBWNM-UHFFFAOYSA-N
XLogP2.00
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-(2-methylsulfonyl-4-pyridinyl)cyclopropyl]carbamate?
The IUPAC name of tert-butyl N-[1-(2-methylsulfonyl-4-pyridinyl)cyclopropyl]carbamate (CID 67194852) is tert-butyl N-[1-(2-methylsulfonyl-4-pyridinyl)cyclopropyl]carbamate.
What is the SMILES notation for tert-butyl N-[1-(2-methylsulfonyl-4-pyridinyl)cyclopropyl]carbamate?
The canonical SMILES for tert-butyl N-[1-(2-methylsulfonyl-4-pyridinyl)cyclopropyl]carbamate is CC(C)(C)OC(=O)NC1(c2ccnc(S(C)(=O)=O)c2)CC1.
What is the InChIKey of tert-butyl N-[1-(2-methylsulfonyl-4-pyridinyl)cyclopropyl]carbamate?
The InChIKey is BVNUWIWVJCBWNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4S/c1-13(2,3)20-12(17)16-14(6-7-14)10-5-8-15-11(9-10)21(4,18)19/h5,8-9H,6-7H2,1-4H3,(H,16,17).
What are the key properties of tert-butyl N-[1-(2-methylsulfonyl-4-pyridinyl)cyclopropyl]carbamate?
tert-butyl N-[1-(2-methylsulfonyl-4-pyridinyl)cyclopropyl]carbamate has a molecular weight of 312.39 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-(2-methylsulfonyl-4-pyridinyl)cyclopropyl]carbamate is sourced from PubChem (CID 67194852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).