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

C10H18N4OS — CID 97086897

IUPAC1-cyclopropyl-5-[(2S)-5-methoxypentan-2-yl]sulfanyltetrazole
SMILESCOCCC[C@H](C)Sc1nnnn1C1CC1
InChIInChI=1S/C10H18N4OS/c1-8(4-3-7-15-2)16-10-11-12-13-14(10)9-5-6-9/h8-9H,3-7H2,1-2H3/t8-/m0/s1
InChIKeyWIPCIAJUNKDCRH-QMMMGPOBSA-N
MW242.35 g/mol
LogP1.92
Rot. Bonds7

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

1-cyclopropyl-5-[(2S)-5-methoxypentan-2-yl]sulfanyltetrazole (PubChem CID 97086897) has the molecular formula C10H18N4OS and a molecular weight of 242.35 g/mol. Its IUPAC name is 1-cyclopropyl-5-[(2S)-5-methoxypentan-2-yl]sulfanyltetrazole.

Molecular Properties

Compound Name1-cyclopropyl-5-[(2S)-5-methoxypentan-2-yl]sulfanyltetrazole
PubChem CID97086897
Molecular FormulaC10H18N4OS
Molecular Weight242.35 g/mol
Exact Mass242.12
IUPAC Name1-cyclopropyl-5-[(2S)-5-methoxypentan-2-yl]sulfanyltetrazole
SMILESCOCCC[C@H](C)Sc1nnnn1C1CC1
InChIInChI=1S/C10H18N4OS/c1-8(4-3-7-15-2)16-10-11-12-13-14(10)9-5-6-9/h8-9H,3-7H2,1-2H3/t8-/m0/s1
InChIKeyWIPCIAJUNKDCRH-QMMMGPOBSA-N
XLogP1.92
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.35
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-cyclopropyl-5-(5-methoxypentan-2-ylsulfanyl)tetrazole
CID 71907294
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(2-methoxyethyl)propan-1-amine
CID 62577032
1-cyclopropyl-5-[(2S)-4-phenylbutan-2-yl]sulfanyltetrazole
CID 97313120
3-(1-cyclopropyltetrazol-5-yl)sulfanylbutanenitrile
CID 60914500
N-[2-(1-cyclopropyltetrazol-5-yl)sulfanylethyl]-1-methoxypropan-2-amine
CID 62576626
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-methylpentan-3-amine
CID 64647783
3-amino-2-(1-cyclopropyltetrazol-5-yl)sulfanyl-4-methylpentan-1-ol
CID 114370185
6-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-methylhexan-2-amine
CID 64649345
4-(1-cyclopropyltetrazol-5-yl)sulfanyl-2-(ethylamino)-2-methylpentanoic acid
CID 64709347
1-cyclopropyl-5-(3,3-diethoxypropylsulfanyl)tetrazole
CID 63628121
3-(1-cyclopropyltetrazol-5-yl)sulfanylpentanenitrile
CID 43368522
3-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-ethylheptan-4-amine
CID 64648752

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-5-[(2S)-5-methoxypentan-2-yl]sulfanyltetrazole?
The IUPAC name of 1-cyclopropyl-5-[(2S)-5-methoxypentan-2-yl]sulfanyltetrazole (CID 97086897) is 1-cyclopropyl-5-[(2S)-5-methoxypentan-2-yl]sulfanyltetrazole.
What is the SMILES notation for 1-cyclopropyl-5-[(2S)-5-methoxypentan-2-yl]sulfanyltetrazole?
The canonical SMILES for 1-cyclopropyl-5-[(2S)-5-methoxypentan-2-yl]sulfanyltetrazole is COCCC[C@H](C)Sc1nnnn1C1CC1.
What is the InChIKey of 1-cyclopropyl-5-[(2S)-5-methoxypentan-2-yl]sulfanyltetrazole?
The InChIKey is WIPCIAJUNKDCRH-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H18N4OS/c1-8(4-3-7-15-2)16-10-11-12-13-14(10)9-5-6-9/h8-9H,3-7H2,1-2H3/t8-/m0/s1.
What are the key properties of 1-cyclopropyl-5-[(2S)-5-methoxypentan-2-yl]sulfanyltetrazole?
1-cyclopropyl-5-[(2S)-5-methoxypentan-2-yl]sulfanyltetrazole has a molecular weight of 242.35 g/mol, XLogP of 1.92, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-5-[(2S)-5-methoxypentan-2-yl]sulfanyltetrazole is sourced from PubChem (CID 97086897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).