2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]acetamide

C12H19N5O2S — CID 114751551

IUPAC2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]acetamide
SMILESO=C(CSc1nnnn1C1CC1)NCC1(CCO)CC1
InChIInChI=1S/C12H19N5O2S/c18-6-5-12(3-4-12)8-13-10(19)7-20-11-14-15-16-17(11)9-1-2-9/h9,18H,1-8H2,(H,13,19)
InChIKeyIZSLSVPSNYJGCZ-UHFFFAOYSA-N
MW297.38 g/mol
LogP0.38
Rot. Bonds8

About 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]acetamide

2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]acetamide (PubChem CID 114751551) has the molecular formula C12H19N5O2S and a molecular weight of 297.38 g/mol. Its IUPAC name is 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]acetamide.

Molecular Properties

Compound Name2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]acetamide
PubChem CID114751551
Molecular FormulaC12H19N5O2S
Molecular Weight297.38 g/mol
Exact Mass297.13
IUPAC Name2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]acetamide
SMILESO=C(CSc1nnnn1C1CC1)NCC1(CCO)CC1
InChIInChI=1S/C12H19N5O2S/c18-6-5-12(3-4-12)8-13-10(19)7-20-11-14-15-16-17(11)9-1-2-9/h9,18H,1-8H2,(H,13,19)
InChIKeyIZSLSVPSNYJGCZ-UHFFFAOYSA-N
XLogP0.38
TPSA92.93 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-[[1-(hydroxymethyl)cyclopentyl]methyl]acetamide
CID 115362685
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(3-hydroxypropyl)acetamide
CID 43417587
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-[(1-phenylcyclopentyl)methyl]acetamide
CID 35493834
N-(1-adamantylmethyl)-2-(1-cyclopentyltetrazol-5-yl)sulfanylacetamide
CID 27094172
N-(2-chloroprop-2-enyl)-2-(1-cyclopropyltetrazol-5-yl)sulfanylacetamide
CID 115636705
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(3-methylbutyl)acetamide
CID 27096193
N-cyano-2-(1-cyclopropyltetrazol-5-yl)sulfanylacetamide
CID 79194698
2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-[(1-phenylcyclobutyl)methyl]acetamide
CID 55541677
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-[3-(hydroxymethyl)pentan-3-yl]acetamide
CID 62516881
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-methoxyacetamide
CID 30907405
methyl 2-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]amino]-3-hydroxypropanoate
CID 43422824
1-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]amino]-N,N-diethylcyclohexane-1-carboxamide
CID 55982309

Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]acetamide?
The IUPAC name of 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]acetamide (CID 114751551) is 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]acetamide.
What is the SMILES notation for 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]acetamide?
The canonical SMILES for 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]acetamide is O=C(CSc1nnnn1C1CC1)NCC1(CCO)CC1.
What is the InChIKey of 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]acetamide?
The InChIKey is IZSLSVPSNYJGCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O2S/c18-6-5-12(3-4-12)8-13-10(19)7-20-11-14-15-16-17(11)9-1-2-9/h9,18H,1-8H2,(H,13,19).
What are the key properties of 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]acetamide?
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]acetamide has a molecular weight of 297.38 g/mol, XLogP of 0.38, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]acetamide is sourced from PubChem (CID 114751551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).