1-cyclopropyl-5-[(2S)-4-phenylbutan-2-yl]sulfanyltetrazole

C14H18N4S — CID 97313120

IUPAC1-cyclopropyl-5-[(2S)-4-phenylbutan-2-yl]sulfanyltetrazole
SMILESC[C@@H](CCc1ccccc1)Sc1nnnn1C1CC1
InChIInChI=1S/C14H18N4S/c1-11(7-8-12-5-3-2-4-6-12)19-14-15-16-17-18(14)13-9-10-13/h2-6,11,13H,7-10H2,1H3/t11-/m0/s1
InChIKeyRNMDQZPRXIZZQJ-NSHDSACASA-N
MW274.39 g/mol
LogP3.12
Rot. Bonds6

About 1-cyclopropyl-5-[(2S)-4-phenylbutan-2-yl]sulfanyltetrazole

1-cyclopropyl-5-[(2S)-4-phenylbutan-2-yl]sulfanyltetrazole (PubChem CID 97313120) has the molecular formula C14H18N4S and a molecular weight of 274.39 g/mol. Its IUPAC name is 1-cyclopropyl-5-[(2S)-4-phenylbutan-2-yl]sulfanyltetrazole.

Molecular Properties

Compound Name1-cyclopropyl-5-[(2S)-4-phenylbutan-2-yl]sulfanyltetrazole
PubChem CID97313120
Molecular FormulaC14H18N4S
Molecular Weight274.39 g/mol
Exact Mass274.13
IUPAC Name1-cyclopropyl-5-[(2S)-4-phenylbutan-2-yl]sulfanyltetrazole
SMILESC[C@@H](CCc1ccccc1)Sc1nnnn1C1CC1
InChIInChI=1S/C14H18N4S/c1-11(7-8-12-5-3-2-4-6-12)19-14-15-16-17-18(14)13-9-10-13/h2-6,11,13H,7-10H2,1H3/t11-/m0/s1
InChIKeyRNMDQZPRXIZZQJ-NSHDSACASA-N
XLogP3.12
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(2-phenylethyl)propanamide
CID 27096965
2-[2-(1-cyclopropyltetrazol-5-yl)sulfanylpropanoylamino]-N-(2-phenylethyl)benzamide
CID 55541878
1-cyclopropyl-5-(5-methoxypentan-2-ylsulfanyl)tetrazole
CID 71907294
1-cyclopropyl-5-[(2S)-5-methoxypentan-2-yl]sulfanyltetrazole
CID 97086897
(2S)-N-(benzylcarbamoyl)-2-(1-cyclopropyltetrazol-5-yl)sulfanylpropanamide
CID 27097053
3-(1-cyclopropyltetrazol-5-yl)sulfanylbutanenitrile
CID 60914500
5-[1-(2-chlorophenyl)ethylsulfanyl]-1-cyclopropyltetrazole
CID 47124356
(2R)-1-(4-benzylpiperidin-1-yl)-2-(1-cyclohexyltetrazol-5-yl)sulfanylpropan-1-one
CID 27047728
3-(1-cyclopropyltetrazol-5-yl)sulfanyl-3-phenylpropanoic acid
CID 63098233
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(6-phenylmethoxy-3-pyridinyl)propanamide
CID 55993734
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(2-propan-2-ylphenyl)propanamide
CID 24519960
1-cyclopropyl-5-[(4-phenylphenyl)methylsulfanyl]tetrazole
CID 9450968

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-5-[(2S)-4-phenylbutan-2-yl]sulfanyltetrazole?
The IUPAC name of 1-cyclopropyl-5-[(2S)-4-phenylbutan-2-yl]sulfanyltetrazole (CID 97313120) is 1-cyclopropyl-5-[(2S)-4-phenylbutan-2-yl]sulfanyltetrazole.
What is the SMILES notation for 1-cyclopropyl-5-[(2S)-4-phenylbutan-2-yl]sulfanyltetrazole?
The canonical SMILES for 1-cyclopropyl-5-[(2S)-4-phenylbutan-2-yl]sulfanyltetrazole is C[C@@H](CCc1ccccc1)Sc1nnnn1C1CC1.
What is the InChIKey of 1-cyclopropyl-5-[(2S)-4-phenylbutan-2-yl]sulfanyltetrazole?
The InChIKey is RNMDQZPRXIZZQJ-NSHDSACASA-N. The full InChI is InChI=1S/C14H18N4S/c1-11(7-8-12-5-3-2-4-6-12)19-14-15-16-17-18(14)13-9-10-13/h2-6,11,13H,7-10H2,1H3/t11-/m0/s1.
What are the key properties of 1-cyclopropyl-5-[(2S)-4-phenylbutan-2-yl]sulfanyltetrazole?
1-cyclopropyl-5-[(2S)-4-phenylbutan-2-yl]sulfanyltetrazole has a molecular weight of 274.39 g/mol, XLogP of 3.12, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-5-[(2S)-4-phenylbutan-2-yl]sulfanyltetrazole is sourced from PubChem (CID 97313120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).