4-[[(1S,2S)-2-ethylcyclopropyl]methyl]-N-propan-2-ylpiperazine-1-sulfonamide

C13H27N3O2S — CID 164641466

IUPAC4-[[(1S,2S)-2-ethylcyclopropyl]methyl]-N-propan-2-ylpiperazine-1-sulfonamide
SMILESCC[C@H]1C[C@@H]1CN1CCN(S(=O)(=O)NC(C)C)CC1
InChIInChI=1S/C13H27N3O2S/c1-4-12-9-13(12)10-15-5-7-16(8-6-15)19(17,18)14-11(2)3/h11-14H,4-10H2,1-3H3/t12-,13+/m0/s1
InChIKeyMPKONZFZKPQVDY-QWHCGFSZSA-N
MW289.44 g/mol
LogP0.89
Rot. Bonds6

About 4-[[(1S,2S)-2-ethylcyclopropyl]methyl]-N-propan-2-ylpiperazine-1-sulfonamide

4-[[(1S,2S)-2-ethylcyclopropyl]methyl]-N-propan-2-ylpiperazine-1-sulfonamide (PubChem CID 164641466) has the molecular formula C13H27N3O2S and a molecular weight of 289.44 g/mol. Its IUPAC name is 4-[[(1S,2S)-2-ethylcyclopropyl]methyl]-N-propan-2-ylpiperazine-1-sulfonamide.

Molecular Properties

Compound Name4-[[(1S,2S)-2-ethylcyclopropyl]methyl]-N-propan-2-ylpiperazine-1-sulfonamide
PubChem CID164641466
Molecular FormulaC13H27N3O2S
Molecular Weight289.44 g/mol
Exact Mass289.18
IUPAC Name4-[[(1S,2S)-2-ethylcyclopropyl]methyl]-N-propan-2-ylpiperazine-1-sulfonamide
SMILESCC[C@H]1C[C@@H]1CN1CCN(S(=O)(=O)NC(C)C)CC1
InChIInChI=1S/C13H27N3O2S/c1-4-12-9-13(12)10-15-5-7-16(8-6-15)19(17,18)14-11(2)3/h11-14H,4-10H2,1-3H3/t12-,13+/m0/s1
InChIKeyMPKONZFZKPQVDY-QWHCGFSZSA-N
XLogP0.89
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.44
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[[(1S,2S)-2-ethylcyclopropyl]methyl]-N-propan-2-ylpiperazine-1-sulfonamide?
The IUPAC name of 4-[[(1S,2S)-2-ethylcyclopropyl]methyl]-N-propan-2-ylpiperazine-1-sulfonamide (CID 164641466) is 4-[[(1S,2S)-2-ethylcyclopropyl]methyl]-N-propan-2-ylpiperazine-1-sulfonamide.
What is the SMILES notation for 4-[[(1S,2S)-2-ethylcyclopropyl]methyl]-N-propan-2-ylpiperazine-1-sulfonamide?
The canonical SMILES for 4-[[(1S,2S)-2-ethylcyclopropyl]methyl]-N-propan-2-ylpiperazine-1-sulfonamide is CC[C@H]1C[C@@H]1CN1CCN(S(=O)(=O)NC(C)C)CC1.
What is the InChIKey of 4-[[(1S,2S)-2-ethylcyclopropyl]methyl]-N-propan-2-ylpiperazine-1-sulfonamide?
The InChIKey is MPKONZFZKPQVDY-QWHCGFSZSA-N. The full InChI is InChI=1S/C13H27N3O2S/c1-4-12-9-13(12)10-15-5-7-16(8-6-15)19(17,18)14-11(2)3/h11-14H,4-10H2,1-3H3/t12-,13+/m0/s1.
What are the key properties of 4-[[(1S,2S)-2-ethylcyclopropyl]methyl]-N-propan-2-ylpiperazine-1-sulfonamide?
4-[[(1S,2S)-2-ethylcyclopropyl]methyl]-N-propan-2-ylpiperazine-1-sulfonamide has a molecular weight of 289.44 g/mol, XLogP of 0.89, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(1S,2S)-2-ethylcyclopropyl]methyl]-N-propan-2-ylpiperazine-1-sulfonamide is sourced from PubChem (CID 164641466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).