N-[(1S)-1-cyclopropylethyl]pyrimidine-5-sulfonamide

C9H13N3O2S — CID 66730755

IUPACN-[(1S)-1-cyclopropylethyl]pyrimidine-5-sulfonamide
SMILESC[C@H](NS(=O)(=O)c1cncnc1)C1CC1
InChIInChI=1S/C9H13N3O2S/c1-7(8-2-3-8)12-15(13,14)9-4-10-6-11-5-9/h4-8,12H,2-3H2,1H3/t7-/m0/s1
InChIKeyUNUDUTYBMPJWMX-ZETCQYMHSA-N
MW227.29 g/mol
LogP0.55
Rot. Bonds4

About N-[(1S)-1-cyclopropylethyl]pyrimidine-5-sulfonamide

N-[(1S)-1-cyclopropylethyl]pyrimidine-5-sulfonamide (PubChem CID 66730755) has the molecular formula C9H13N3O2S and a molecular weight of 227.29 g/mol. Its IUPAC name is N-[(1S)-1-cyclopropylethyl]pyrimidine-5-sulfonamide.

Molecular Properties

Compound NameN-[(1S)-1-cyclopropylethyl]pyrimidine-5-sulfonamide
PubChem CID66730755
Molecular FormulaC9H13N3O2S
Molecular Weight227.29 g/mol
Exact Mass227.07
IUPAC NameN-[(1S)-1-cyclopropylethyl]pyrimidine-5-sulfonamide
SMILESC[C@H](NS(=O)(=O)c1cncnc1)C1CC1
InChIInChI=1S/C9H13N3O2S/c1-7(8-2-3-8)12-15(13,14)9-4-10-6-11-5-9/h4-8,12H,2-3H2,1H3/t7-/m0/s1
InChIKeyUNUDUTYBMPJWMX-ZETCQYMHSA-N
XLogP0.55
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.29
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-cyclopropylethyl]pyrimidine-5-sulfonamide?
The IUPAC name of N-[(1S)-1-cyclopropylethyl]pyrimidine-5-sulfonamide (CID 66730755) is N-[(1S)-1-cyclopropylethyl]pyrimidine-5-sulfonamide.
What is the SMILES notation for N-[(1S)-1-cyclopropylethyl]pyrimidine-5-sulfonamide?
The canonical SMILES for N-[(1S)-1-cyclopropylethyl]pyrimidine-5-sulfonamide is C[C@H](NS(=O)(=O)c1cncnc1)C1CC1.
What is the InChIKey of N-[(1S)-1-cyclopropylethyl]pyrimidine-5-sulfonamide?
The InChIKey is UNUDUTYBMPJWMX-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H13N3O2S/c1-7(8-2-3-8)12-15(13,14)9-4-10-6-11-5-9/h4-8,12H,2-3H2,1H3/t7-/m0/s1.
What are the key properties of N-[(1S)-1-cyclopropylethyl]pyrimidine-5-sulfonamide?
N-[(1S)-1-cyclopropylethyl]pyrimidine-5-sulfonamide has a molecular weight of 227.29 g/mol, XLogP of 0.55, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-cyclopropylethyl]pyrimidine-5-sulfonamide is sourced from PubChem (CID 66730755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).