1-cyclopropyl-N-[(2S)-spiro[2.5]octan-2-yl]methanesulfonamide

C12H21NO2S — CID 164639817

IUPAC1-cyclopropyl-N-[(2S)-spiro[2.5]octan-2-yl]methanesulfonamide
SMILESO=S(=O)(CC1CC1)N[C@H]1CC12CCCCC2
InChIInChI=1S/C12H21NO2S/c14-16(15,9-10-4-5-10)13-11-8-12(11)6-2-1-3-7-12/h10-11,13H,1-9H2/t11-/m0/s1
InChIKeyOXARNNCXNFPVNQ-NSHDSACASA-N
MW243.37 g/mol
LogP2.04
Rot. Bonds4

About 1-cyclopropyl-N-[(2S)-spiro[2.5]octan-2-yl]methanesulfonamide

1-cyclopropyl-N-[(2S)-spiro[2.5]octan-2-yl]methanesulfonamide (PubChem CID 164639817) has the molecular formula C12H21NO2S and a molecular weight of 243.37 g/mol. Its IUPAC name is 1-cyclopropyl-N-[(2S)-spiro[2.5]octan-2-yl]methanesulfonamide.

Molecular Properties

Compound Name1-cyclopropyl-N-[(2S)-spiro[2.5]octan-2-yl]methanesulfonamide
PubChem CID164639817
Molecular FormulaC12H21NO2S
Molecular Weight243.37 g/mol
Exact Mass243.13
IUPAC Name1-cyclopropyl-N-[(2S)-spiro[2.5]octan-2-yl]methanesulfonamide
SMILESO=S(=O)(CC1CC1)N[C@H]1CC12CCCCC2
InChIInChI=1S/C12H21NO2S/c14-16(15,9-10-4-5-10)13-11-8-12(11)6-2-1-3-7-12/h10-11,13H,1-9H2/t11-/m0/s1
InChIKeyOXARNNCXNFPVNQ-NSHDSACASA-N
XLogP2.04
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.37
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-[(2S)-spiro[2.5]octan-2-yl]methanesulfonamide?
The IUPAC name of 1-cyclopropyl-N-[(2S)-spiro[2.5]octan-2-yl]methanesulfonamide (CID 164639817) is 1-cyclopropyl-N-[(2S)-spiro[2.5]octan-2-yl]methanesulfonamide.
What is the SMILES notation for 1-cyclopropyl-N-[(2S)-spiro[2.5]octan-2-yl]methanesulfonamide?
The canonical SMILES for 1-cyclopropyl-N-[(2S)-spiro[2.5]octan-2-yl]methanesulfonamide is O=S(=O)(CC1CC1)N[C@H]1CC12CCCCC2.
What is the InChIKey of 1-cyclopropyl-N-[(2S)-spiro[2.5]octan-2-yl]methanesulfonamide?
The InChIKey is OXARNNCXNFPVNQ-NSHDSACASA-N. The full InChI is InChI=1S/C12H21NO2S/c14-16(15,9-10-4-5-10)13-11-8-12(11)6-2-1-3-7-12/h10-11,13H,1-9H2/t11-/m0/s1.
What are the key properties of 1-cyclopropyl-N-[(2S)-spiro[2.5]octan-2-yl]methanesulfonamide?
1-cyclopropyl-N-[(2S)-spiro[2.5]octan-2-yl]methanesulfonamide has a molecular weight of 243.37 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-[(2S)-spiro[2.5]octan-2-yl]methanesulfonamide is sourced from PubChem (CID 164639817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).