1-(1-cyclopropyltetrazol-5-yl)sulfanyl-3,3-dimethylbutan-2-one

C10H16N4OS — CID 43231239

IUPAC1-(1-cyclopropyltetrazol-5-yl)sulfanyl-3,3-dimethylbutan-2-one
SMILESCC(C)(C)C(=O)CSc1nnnn1C1CC1
InChIInChI=1S/C10H16N4OS/c1-10(2,3)8(15)6-16-9-11-12-13-14(9)7-4-5-7/h7H,4-6H2,1-3H3
InChIKeyKFXARNWOHUOGPW-UHFFFAOYSA-N
MW240.33 g/mol
LogP1.72
Rot. Bonds4

About 1-(1-cyclopropyltetrazol-5-yl)sulfanyl-3,3-dimethylbutan-2-one

1-(1-cyclopropyltetrazol-5-yl)sulfanyl-3,3-dimethylbutan-2-one (PubChem CID 43231239) has the molecular formula C10H16N4OS and a molecular weight of 240.33 g/mol. Its IUPAC name is 1-(1-cyclopropyltetrazol-5-yl)sulfanyl-3,3-dimethylbutan-2-one.

Molecular Properties

Compound Name1-(1-cyclopropyltetrazol-5-yl)sulfanyl-3,3-dimethylbutan-2-one
PubChem CID43231239
Molecular FormulaC10H16N4OS
Molecular Weight240.33 g/mol
Exact Mass240.10
IUPAC Name1-(1-cyclopropyltetrazol-5-yl)sulfanyl-3,3-dimethylbutan-2-one
SMILESCC(C)(C)C(=O)CSc1nnnn1C1CC1
InChIInChI=1S/C10H16N4OS/c1-10(2,3)8(15)6-16-9-11-12-13-14(9)7-4-5-7/h7H,4-6H2,1-3H3
InChIKeyKFXARNWOHUOGPW-UHFFFAOYSA-N
XLogP1.72
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-(1-cyclopropyltetrazol-5-yl)sulfanyl-2,2-dimethylpropanoic acid
CID 79630021
(2S)-2-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]amino]-3,3-dimethylbutanoic acid
CID 61145200
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(3-hydroxy-2-methylbutan-2-yl)acetamide
CID 115884717
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-methoxyacetamide
CID 30907405
2-[1-(oxan-4-yl)tetrazol-5-yl]sulfanylacetic acid
CID 43610496
3-(1-cyclopentyltetrazol-5-yl)sulfanyl-2,2-dimethylpropanoic acid
CID 79629924
2-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]-ethylamino]acetic acid
CID 54900172
N-cyano-2-(1-cyclopropyltetrazol-5-yl)sulfanylacetamide
CID 79194698
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-1-(oxolan-3-yl)ethanone
CID 104693488
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-[3-(hydroxymethyl)pentan-3-yl]acetamide
CID 62516881
2-(1-cyclopentyltetrazol-5-yl)sulfanyl-1-cyclopropylethanone
CID 63902701
ethyl 4-(1-cyclopropyltetrazol-5-yl)sulfanyl-3-oxobutanoate
CID 60693268

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclopropyltetrazol-5-yl)sulfanyl-3,3-dimethylbutan-2-one?
The IUPAC name of 1-(1-cyclopropyltetrazol-5-yl)sulfanyl-3,3-dimethylbutan-2-one (CID 43231239) is 1-(1-cyclopropyltetrazol-5-yl)sulfanyl-3,3-dimethylbutan-2-one.
What is the SMILES notation for 1-(1-cyclopropyltetrazol-5-yl)sulfanyl-3,3-dimethylbutan-2-one?
The canonical SMILES for 1-(1-cyclopropyltetrazol-5-yl)sulfanyl-3,3-dimethylbutan-2-one is CC(C)(C)C(=O)CSc1nnnn1C1CC1.
What is the InChIKey of 1-(1-cyclopropyltetrazol-5-yl)sulfanyl-3,3-dimethylbutan-2-one?
The InChIKey is KFXARNWOHUOGPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4OS/c1-10(2,3)8(15)6-16-9-11-12-13-14(9)7-4-5-7/h7H,4-6H2,1-3H3.
What are the key properties of 1-(1-cyclopropyltetrazol-5-yl)sulfanyl-3,3-dimethylbutan-2-one?
1-(1-cyclopropyltetrazol-5-yl)sulfanyl-3,3-dimethylbutan-2-one has a molecular weight of 240.33 g/mol, XLogP of 1.72, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclopropyltetrazol-5-yl)sulfanyl-3,3-dimethylbutan-2-one is sourced from PubChem (CID 43231239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).