N-[(2S)-2-cyclohexyl-2-(propan-2-ylamino)ethyl]-N-methylcyclopropanesulfonamide

C15H30N2O2S — CID 58821530

IUPACN-[(2S)-2-cyclohexyl-2-(propan-2-ylamino)ethyl]-N-methylcyclopropanesulfonamide
SMILESCC(C)N[C@H](CN(C)S(=O)(=O)C1CC1)C1CCCCC1
InChIInChI=1S/C15H30N2O2S/c1-12(2)16-15(13-7-5-4-6-8-13)11-17(3)20(18,19)14-9-10-14/h12-16H,4-11H2,1-3H3/t15-/m1/s1
InChIKeyQTTXZECXMNXNHF-OAHLLOKOSA-N
MW302.48 g/mol
LogP2.36
Rot. Bonds7

About N-[(2S)-2-cyclohexyl-2-(propan-2-ylamino)ethyl]-N-methylcyclopropanesulfonamide

N-[(2S)-2-cyclohexyl-2-(propan-2-ylamino)ethyl]-N-methylcyclopropanesulfonamide (PubChem CID 58821530) has the molecular formula C15H30N2O2S and a molecular weight of 302.48 g/mol. Its IUPAC name is N-[(2S)-2-cyclohexyl-2-(propan-2-ylamino)ethyl]-N-methylcyclopropanesulfonamide.

Molecular Properties

Compound NameN-[(2S)-2-cyclohexyl-2-(propan-2-ylamino)ethyl]-N-methylcyclopropanesulfonamide
PubChem CID58821530
Molecular FormulaC15H30N2O2S
Molecular Weight302.48 g/mol
Exact Mass302.20
IUPAC NameN-[(2S)-2-cyclohexyl-2-(propan-2-ylamino)ethyl]-N-methylcyclopropanesulfonamide
SMILESCC(C)N[C@H](CN(C)S(=O)(=O)C1CC1)C1CCCCC1
InChIInChI=1S/C15H30N2O2S/c1-12(2)16-15(13-7-5-4-6-8-13)11-17(3)20(18,19)14-9-10-14/h12-16H,4-11H2,1-3H3/t15-/m1/s1
InChIKeyQTTXZECXMNXNHF-OAHLLOKOSA-N
XLogP2.36
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.48
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-cyclohexyl-2-(propan-2-ylamino)ethyl]-N-methylcyclopropanesulfonamide?
The IUPAC name of N-[(2S)-2-cyclohexyl-2-(propan-2-ylamino)ethyl]-N-methylcyclopropanesulfonamide (CID 58821530) is N-[(2S)-2-cyclohexyl-2-(propan-2-ylamino)ethyl]-N-methylcyclopropanesulfonamide.
What is the SMILES notation for N-[(2S)-2-cyclohexyl-2-(propan-2-ylamino)ethyl]-N-methylcyclopropanesulfonamide?
The canonical SMILES for N-[(2S)-2-cyclohexyl-2-(propan-2-ylamino)ethyl]-N-methylcyclopropanesulfonamide is CC(C)N[C@H](CN(C)S(=O)(=O)C1CC1)C1CCCCC1.
What is the InChIKey of N-[(2S)-2-cyclohexyl-2-(propan-2-ylamino)ethyl]-N-methylcyclopropanesulfonamide?
The InChIKey is QTTXZECXMNXNHF-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H30N2O2S/c1-12(2)16-15(13-7-5-4-6-8-13)11-17(3)20(18,19)14-9-10-14/h12-16H,4-11H2,1-3H3/t15-/m1/s1.
What are the key properties of N-[(2S)-2-cyclohexyl-2-(propan-2-ylamino)ethyl]-N-methylcyclopropanesulfonamide?
N-[(2S)-2-cyclohexyl-2-(propan-2-ylamino)ethyl]-N-methylcyclopropanesulfonamide has a molecular weight of 302.48 g/mol, XLogP of 2.36, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-cyclohexyl-2-(propan-2-ylamino)ethyl]-N-methylcyclopropanesulfonamide is sourced from PubChem (CID 58821530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).