N-methyl-N-[(2S)-3-methyl-2-(propan-2-ylamino)butyl]cyclopropanesulfonamide

C12H26N2O2S — CID 58821359

IUPACN-methyl-N-[(2S)-3-methyl-2-(propan-2-ylamino)butyl]cyclopropanesulfonamide
SMILESCC(C)N[C@H](CN(C)S(=O)(=O)C1CC1)C(C)C
InChIInChI=1S/C12H26N2O2S/c1-9(2)12(13-10(3)4)8-14(5)17(15,16)11-6-7-11/h9-13H,6-8H2,1-5H3/t12-/m1/s1
InChIKeyWSSAJOFORJZBEE-GFCCVEGCSA-N
MW262.42 g/mol
LogP1.43
Rot. Bonds7

About N-methyl-N-[(2S)-3-methyl-2-(propan-2-ylamino)butyl]cyclopropanesulfonamide

N-methyl-N-[(2S)-3-methyl-2-(propan-2-ylamino)butyl]cyclopropanesulfonamide (PubChem CID 58821359) has the molecular formula C12H26N2O2S and a molecular weight of 262.42 g/mol. Its IUPAC name is N-methyl-N-[(2S)-3-methyl-2-(propan-2-ylamino)butyl]cyclopropanesulfonamide.

Molecular Properties

Compound NameN-methyl-N-[(2S)-3-methyl-2-(propan-2-ylamino)butyl]cyclopropanesulfonamide
PubChem CID58821359
Molecular FormulaC12H26N2O2S
Molecular Weight262.42 g/mol
Exact Mass262.17
IUPAC NameN-methyl-N-[(2S)-3-methyl-2-(propan-2-ylamino)butyl]cyclopropanesulfonamide
SMILESCC(C)N[C@H](CN(C)S(=O)(=O)C1CC1)C(C)C
InChIInChI=1S/C12H26N2O2S/c1-9(2)12(13-10(3)4)8-14(5)17(15,16)11-6-7-11/h9-13H,6-8H2,1-5H3/t12-/m1/s1
InChIKeyWSSAJOFORJZBEE-GFCCVEGCSA-N
XLogP1.43
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.42
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(2S)-3-methyl-2-(propan-2-ylamino)butyl]cyclopropanesulfonamide?
The IUPAC name of N-methyl-N-[(2S)-3-methyl-2-(propan-2-ylamino)butyl]cyclopropanesulfonamide (CID 58821359) is N-methyl-N-[(2S)-3-methyl-2-(propan-2-ylamino)butyl]cyclopropanesulfonamide.
What is the SMILES notation for N-methyl-N-[(2S)-3-methyl-2-(propan-2-ylamino)butyl]cyclopropanesulfonamide?
The canonical SMILES for N-methyl-N-[(2S)-3-methyl-2-(propan-2-ylamino)butyl]cyclopropanesulfonamide is CC(C)N[C@H](CN(C)S(=O)(=O)C1CC1)C(C)C.
What is the InChIKey of N-methyl-N-[(2S)-3-methyl-2-(propan-2-ylamino)butyl]cyclopropanesulfonamide?
The InChIKey is WSSAJOFORJZBEE-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H26N2O2S/c1-9(2)12(13-10(3)4)8-14(5)17(15,16)11-6-7-11/h9-13H,6-8H2,1-5H3/t12-/m1/s1.
What are the key properties of N-methyl-N-[(2S)-3-methyl-2-(propan-2-ylamino)butyl]cyclopropanesulfonamide?
N-methyl-N-[(2S)-3-methyl-2-(propan-2-ylamino)butyl]cyclopropanesulfonamide has a molecular weight of 262.42 g/mol, XLogP of 1.43, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(2S)-3-methyl-2-(propan-2-ylamino)butyl]cyclopropanesulfonamide is sourced from PubChem (CID 58821359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).