(1S)-1-[1-(5-chloropyrimidin-2-yl)cyclopropyl]ethanesulfonamide

C9H12ClN3O2S — CID 163730472

IUPAC(1S)-1-[1-(5-chloropyrimidin-2-yl)cyclopropyl]ethanesulfonamide
SMILESC[C@@H](C1(c2ncc(Cl)cn2)CC1)S(N)(=O)=O
InChIInChI=1S/C9H12ClN3O2S/c1-6(16(11,14)15)9(2-3-9)8-12-4-7(10)5-13-8/h4-6H,2-3H2,1H3,(H2,11,14,15)/t6-/m0/s1
InChIKeyKZDDUYKGWKTQTA-LURJTMIESA-N
MW261.73 g/mol
LogP0.84
Rot. Bonds3

About (1S)-1-[1-(5-chloropyrimidin-2-yl)cyclopropyl]ethanesulfonamide

(1S)-1-[1-(5-chloropyrimidin-2-yl)cyclopropyl]ethanesulfonamide (PubChem CID 163730472) has the molecular formula C9H12ClN3O2S and a molecular weight of 261.73 g/mol. Its IUPAC name is (1S)-1-[1-(5-chloropyrimidin-2-yl)cyclopropyl]ethanesulfonamide.

Molecular Properties

Compound Name(1S)-1-[1-(5-chloropyrimidin-2-yl)cyclopropyl]ethanesulfonamide
PubChem CID163730472
Molecular FormulaC9H12ClN3O2S
Molecular Weight261.73 g/mol
Exact Mass261.03
IUPAC Name(1S)-1-[1-(5-chloropyrimidin-2-yl)cyclopropyl]ethanesulfonamide
SMILESC[C@@H](C1(c2ncc(Cl)cn2)CC1)S(N)(=O)=O
InChIInChI=1S/C9H12ClN3O2S/c1-6(16(11,14)15)9(2-3-9)8-12-4-7(10)5-13-8/h4-6H,2-3H2,1H3,(H2,11,14,15)/t6-/m0/s1
InChIKeyKZDDUYKGWKTQTA-LURJTMIESA-N
XLogP0.84
TPSA85.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.73
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-[1-(5-chloropyrimidin-2-yl)cyclopropyl]ethanesulfonamide?
The IUPAC name of (1S)-1-[1-(5-chloropyrimidin-2-yl)cyclopropyl]ethanesulfonamide (CID 163730472) is (1S)-1-[1-(5-chloropyrimidin-2-yl)cyclopropyl]ethanesulfonamide.
What is the SMILES notation for (1S)-1-[1-(5-chloropyrimidin-2-yl)cyclopropyl]ethanesulfonamide?
The canonical SMILES for (1S)-1-[1-(5-chloropyrimidin-2-yl)cyclopropyl]ethanesulfonamide is C[C@@H](C1(c2ncc(Cl)cn2)CC1)S(N)(=O)=O.
What is the InChIKey of (1S)-1-[1-(5-chloropyrimidin-2-yl)cyclopropyl]ethanesulfonamide?
The InChIKey is KZDDUYKGWKTQTA-LURJTMIESA-N. The full InChI is InChI=1S/C9H12ClN3O2S/c1-6(16(11,14)15)9(2-3-9)8-12-4-7(10)5-13-8/h4-6H,2-3H2,1H3,(H2,11,14,15)/t6-/m0/s1.
What are the key properties of (1S)-1-[1-(5-chloropyrimidin-2-yl)cyclopropyl]ethanesulfonamide?
(1S)-1-[1-(5-chloropyrimidin-2-yl)cyclopropyl]ethanesulfonamide has a molecular weight of 261.73 g/mol, XLogP of 0.84, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[1-(5-chloropyrimidin-2-yl)cyclopropyl]ethanesulfonamide is sourced from PubChem (CID 163730472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).