(1S,3S,4S)-3-amino-4-hydroxy-N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]cyclopentane-1-carboxamide

C10H18N6O2S — CID 155496366

IUPAC(1S,3S,4S)-3-amino-4-hydroxy-N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]cyclopentane-1-carboxamide
SMILESCn1nnnc1SCCNC(=O)[C@H]1C[C@H](N)[C@@H](O)C1
InChIInChI=1S/C10H18N6O2S/c1-16-10(13-14-15-16)19-3-2-12-9(18)6-4-7(11)8(17)5-6/h6-8,17H,2-5,11H2,1H3,(H,12,18)/t6-,7-,8-/m0/s1
InChIKeyIPFXZTJMKQQVIN-FXQIFTODSA-N
MW286.36 g/mol
LogP-1.48
Rot. Bonds5

About (1S,3S,4S)-3-amino-4-hydroxy-N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]cyclopentane-1-carboxamide

(1S,3S,4S)-3-amino-4-hydroxy-N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]cyclopentane-1-carboxamide (PubChem CID 155496366) has the molecular formula C10H18N6O2S and a molecular weight of 286.36 g/mol. Its IUPAC name is (1S,3S,4S)-3-amino-4-hydroxy-N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name(1S,3S,4S)-3-amino-4-hydroxy-N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]cyclopentane-1-carboxamide
PubChem CID155496366
Molecular FormulaC10H18N6O2S
Molecular Weight286.36 g/mol
Exact Mass286.12
IUPAC Name(1S,3S,4S)-3-amino-4-hydroxy-N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]cyclopentane-1-carboxamide
SMILESCn1nnnc1SCCNC(=O)[C@H]1C[C@H](N)[C@@H](O)C1
InChIInChI=1S/C10H18N6O2S/c1-16-10(13-14-15-16)19-3-2-12-9(18)6-4-7(11)8(17)5-6/h6-8,17H,2-5,11H2,1H3,(H,12,18)/t6-,7-,8-/m0/s1
InChIKeyIPFXZTJMKQQVIN-FXQIFTODSA-N
XLogP-1.48
TPSA118.95 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.36
LogP ≤ 5-1.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1S,3S,4S)-3-amino-4-hydroxy-N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]cyclopentane-1-carboxamide?
The IUPAC name of (1S,3S,4S)-3-amino-4-hydroxy-N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]cyclopentane-1-carboxamide (CID 155496366) is (1S,3S,4S)-3-amino-4-hydroxy-N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]cyclopentane-1-carboxamide.
What is the SMILES notation for (1S,3S,4S)-3-amino-4-hydroxy-N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]cyclopentane-1-carboxamide?
The canonical SMILES for (1S,3S,4S)-3-amino-4-hydroxy-N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]cyclopentane-1-carboxamide is Cn1nnnc1SCCNC(=O)[C@H]1C[C@H](N)[C@@H](O)C1.
What is the InChIKey of (1S,3S,4S)-3-amino-4-hydroxy-N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]cyclopentane-1-carboxamide?
The InChIKey is IPFXZTJMKQQVIN-FXQIFTODSA-N. The full InChI is InChI=1S/C10H18N6O2S/c1-16-10(13-14-15-16)19-3-2-12-9(18)6-4-7(11)8(17)5-6/h6-8,17H,2-5,11H2,1H3,(H,12,18)/t6-,7-,8-/m0/s1.
What are the key properties of (1S,3S,4S)-3-amino-4-hydroxy-N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]cyclopentane-1-carboxamide?
(1S,3S,4S)-3-amino-4-hydroxy-N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]cyclopentane-1-carboxamide has a molecular weight of 286.36 g/mol, XLogP of -1.48, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,3S,4S)-3-amino-4-hydroxy-N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 155496366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).