N-[2-[cyclopropyl-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]amino]ethyl]methanesulfonamide

C13H21N3O2S2 — CID 100765479

IUPACN-[2-[cyclopropyl-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]amino]ethyl]methanesulfonamide
SMILESCS(=O)(=O)NCCN(Cc1csc(C2CC2)n1)C1CC1
InChIInChI=1S/C13H21N3O2S2/c1-20(17,18)14-6-7-16(12-4-5-12)8-11-9-19-13(15-11)10-2-3-10/h9-10,12,14H,2-8H2,1H3
InChIKeyXGINNJUPMVYSSS-UHFFFAOYSA-N
MW315.46 g/mol
LogP1.53
Rot. Bonds8

About N-[2-[cyclopropyl-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]amino]ethyl]methanesulfonamide

N-[2-[cyclopropyl-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]amino]ethyl]methanesulfonamide (PubChem CID 100765479) has the molecular formula C13H21N3O2S2 and a molecular weight of 315.46 g/mol. Its IUPAC name is N-[2-[cyclopropyl-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]amino]ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[cyclopropyl-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]amino]ethyl]methanesulfonamide
PubChem CID100765479
Molecular FormulaC13H21N3O2S2
Molecular Weight315.46 g/mol
Exact Mass315.11
IUPAC NameN-[2-[cyclopropyl-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]amino]ethyl]methanesulfonamide
SMILESCS(=O)(=O)NCCN(Cc1csc(C2CC2)n1)C1CC1
InChIInChI=1S/C13H21N3O2S2/c1-20(17,18)14-6-7-16(12-4-5-12)8-11-9-19-13(15-11)10-2-3-10/h9-10,12,14H,2-8H2,1H3
InChIKeyXGINNJUPMVYSSS-UHFFFAOYSA-N
XLogP1.53
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.46
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[cyclopropyl-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]amino]ethyl]methanesulfonamide?
The IUPAC name of N-[2-[cyclopropyl-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]amino]ethyl]methanesulfonamide (CID 100765479) is N-[2-[cyclopropyl-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]amino]ethyl]methanesulfonamide.
What is the SMILES notation for N-[2-[cyclopropyl-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]amino]ethyl]methanesulfonamide?
The canonical SMILES for N-[2-[cyclopropyl-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]amino]ethyl]methanesulfonamide is CS(=O)(=O)NCCN(Cc1csc(C2CC2)n1)C1CC1.
What is the InChIKey of N-[2-[cyclopropyl-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]amino]ethyl]methanesulfonamide?
The InChIKey is XGINNJUPMVYSSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2S2/c1-20(17,18)14-6-7-16(12-4-5-12)8-11-9-19-13(15-11)10-2-3-10/h9-10,12,14H,2-8H2,1H3.
What are the key properties of N-[2-[cyclopropyl-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]amino]ethyl]methanesulfonamide?
N-[2-[cyclopropyl-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]amino]ethyl]methanesulfonamide has a molecular weight of 315.46 g/mol, XLogP of 1.53, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[cyclopropyl-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]amino]ethyl]methanesulfonamide is sourced from PubChem (CID 100765479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).