N-[(1S,2R)-2-methoxycyclopentyl]-1-methylsulfonylcyclobutane-1-carboxamide

C12H21NO4S — CID 129433376

IUPACN-[(1S,2R)-2-methoxycyclopentyl]-1-methylsulfonylcyclobutane-1-carboxamide
SMILESCO[C@@H]1CCC[C@@H]1NC(=O)C1(S(C)(=O)=O)CCC1
InChIInChI=1S/C12H21NO4S/c1-17-10-6-3-5-9(10)13-11(14)12(7-4-8-12)18(2,15)16/h9-10H,3-8H2,1-2H3,(H,13,14)/t9-,10+/m0/s1
InChIKeyMVBIOOZXAMHCSU-VHSXEESVSA-N
MW275.37 g/mol
LogP0.64
Rot. Bonds4

About N-[(1S,2R)-2-methoxycyclopentyl]-1-methylsulfonylcyclobutane-1-carboxamide

N-[(1S,2R)-2-methoxycyclopentyl]-1-methylsulfonylcyclobutane-1-carboxamide (PubChem CID 129433376) has the molecular formula C12H21NO4S and a molecular weight of 275.37 g/mol. Its IUPAC name is N-[(1S,2R)-2-methoxycyclopentyl]-1-methylsulfonylcyclobutane-1-carboxamide.

Molecular Properties

Compound NameN-[(1S,2R)-2-methoxycyclopentyl]-1-methylsulfonylcyclobutane-1-carboxamide
PubChem CID129433376
Molecular FormulaC12H21NO4S
Molecular Weight275.37 g/mol
Exact Mass275.12
IUPAC NameN-[(1S,2R)-2-methoxycyclopentyl]-1-methylsulfonylcyclobutane-1-carboxamide
SMILESCO[C@@H]1CCC[C@@H]1NC(=O)C1(S(C)(=O)=O)CCC1
InChIInChI=1S/C12H21NO4S/c1-17-10-6-3-5-9(10)13-11(14)12(7-4-8-12)18(2,15)16/h9-10H,3-8H2,1-2H3,(H,13,14)/t9-,10+/m0/s1
InChIKeyMVBIOOZXAMHCSU-VHSXEESVSA-N
XLogP0.64
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.37
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1S,2R)-2-methoxycyclopentyl]-1-methylsulfonylcyclobutane-1-carboxamide?
The IUPAC name of N-[(1S,2R)-2-methoxycyclopentyl]-1-methylsulfonylcyclobutane-1-carboxamide (CID 129433376) is N-[(1S,2R)-2-methoxycyclopentyl]-1-methylsulfonylcyclobutane-1-carboxamide.
What is the SMILES notation for N-[(1S,2R)-2-methoxycyclopentyl]-1-methylsulfonylcyclobutane-1-carboxamide?
The canonical SMILES for N-[(1S,2R)-2-methoxycyclopentyl]-1-methylsulfonylcyclobutane-1-carboxamide is CO[C@@H]1CCC[C@@H]1NC(=O)C1(S(C)(=O)=O)CCC1.
What is the InChIKey of N-[(1S,2R)-2-methoxycyclopentyl]-1-methylsulfonylcyclobutane-1-carboxamide?
The InChIKey is MVBIOOZXAMHCSU-VHSXEESVSA-N. The full InChI is InChI=1S/C12H21NO4S/c1-17-10-6-3-5-9(10)13-11(14)12(7-4-8-12)18(2,15)16/h9-10H,3-8H2,1-2H3,(H,13,14)/t9-,10+/m0/s1.
What are the key properties of N-[(1S,2R)-2-methoxycyclopentyl]-1-methylsulfonylcyclobutane-1-carboxamide?
N-[(1S,2R)-2-methoxycyclopentyl]-1-methylsulfonylcyclobutane-1-carboxamide has a molecular weight of 275.37 g/mol, XLogP of 0.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2R)-2-methoxycyclopentyl]-1-methylsulfonylcyclobutane-1-carboxamide is sourced from PubChem (CID 129433376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).