2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-prop-2-ynylpropanamide

C10H13N5OS — CID 47145690

IUPAC2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-prop-2-ynylpropanamide
SMILESC#CCNC(=O)C(C)Sc1nnnn1C1CC1
InChIInChI=1S/C10H13N5OS/c1-3-6-11-9(16)7(2)17-10-12-13-14-15(10)8-4-5-8/h1,7-8H,4-6H2,2H3,(H,11,16)
InChIKeyMVBLPYCMCWFZHM-UHFFFAOYSA-N
MW251.31 g/mol
LogP0.24
Rot. Bonds5

About 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-prop-2-ynylpropanamide

2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-prop-2-ynylpropanamide (PubChem CID 47145690) has the molecular formula C10H13N5OS and a molecular weight of 251.31 g/mol. Its IUPAC name is 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-prop-2-ynylpropanamide.

Molecular Properties

Compound Name2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-prop-2-ynylpropanamide
PubChem CID47145690
Molecular FormulaC10H13N5OS
Molecular Weight251.31 g/mol
Exact Mass251.08
IUPAC Name2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-prop-2-ynylpropanamide
SMILESC#CCNC(=O)C(C)Sc1nnnn1C1CC1
InChIInChI=1S/C10H13N5OS/c1-3-6-11-9(16)7(2)17-10-12-13-14-15(10)8-4-5-8/h1,7-8H,4-6H2,2H3,(H,11,16)
InChIKeyMVBLPYCMCWFZHM-UHFFFAOYSA-N
XLogP0.24
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.31
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(2-phenylethyl)propanamide
CID 27096965
(2S)-2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-cyclopropylpropanamide
CID 26012514
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]propanamide
CID 55974390
(2S)-N-(benzylcarbamoyl)-2-(1-cyclopropyltetrazol-5-yl)sulfanylpropanamide
CID 27097053
(2S)-N-(4-acetamidophenyl)-2-(1-cyclopropyltetrazol-5-yl)sulfanylpropanamide
CID 27096067
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(2-propan-2-ylphenyl)propanamide
CID 24519960
N-(2-cyanophenyl)-2-(1-cyclopropyltetrazol-5-yl)sulfanylpropanamide
CID 46642061
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(2,3-dichlorophenyl)propanamide
CID 51245048
2-[2-(1-cyclopropyltetrazol-5-yl)sulfanylpropanoylamino]-N-(2-phenylethyl)benzamide
CID 55541878
2-(1-cyclohexyltetrazol-5-yl)sulfanyl-N-(2,3-dimethylcyclohexyl)propanamide
CID 46685656
N-prop-2-ynyl-2-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylpropanamide
CID 47145688
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(2-methyl-6-propan-2-ylphenyl)propanamide
CID 51258990

Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-prop-2-ynylpropanamide?
The IUPAC name of 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-prop-2-ynylpropanamide (CID 47145690) is 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-prop-2-ynylpropanamide.
What is the SMILES notation for 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-prop-2-ynylpropanamide?
The canonical SMILES for 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-prop-2-ynylpropanamide is C#CCNC(=O)C(C)Sc1nnnn1C1CC1.
What is the InChIKey of 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-prop-2-ynylpropanamide?
The InChIKey is MVBLPYCMCWFZHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5OS/c1-3-6-11-9(16)7(2)17-10-12-13-14-15(10)8-4-5-8/h1,7-8H,4-6H2,2H3,(H,11,16).
What are the key properties of 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-prop-2-ynylpropanamide?
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-prop-2-ynylpropanamide has a molecular weight of 251.31 g/mol, XLogP of 0.24, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-prop-2-ynylpropanamide is sourced from PubChem (CID 47145690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).