3-[1-(aminomethyl)-2-methylsulfonylcyclopentyl]oxypropan-1-ol

C10H21NO4S — CID 103377338

IUPAC3-[1-(aminomethyl)-2-methylsulfonylcyclopentyl]oxypropan-1-ol
SMILESCS(=O)(=O)C1CCCC1(CN)OCCCO
InChIInChI=1S/C10H21NO4S/c1-16(13,14)9-4-2-5-10(9,8-11)15-7-3-6-12/h9,12H,2-8,11H2,1H3
InChIKeyPNIVSLYTERURPL-UHFFFAOYSA-N
MW251.35 g/mol
LogP-0.32
Rot. Bonds6

About 3-[1-(aminomethyl)-2-methylsulfonylcyclopentyl]oxypropan-1-ol

3-[1-(aminomethyl)-2-methylsulfonylcyclopentyl]oxypropan-1-ol (PubChem CID 103377338) has the molecular formula C10H21NO4S and a molecular weight of 251.35 g/mol. Its IUPAC name is 3-[1-(aminomethyl)-2-methylsulfonylcyclopentyl]oxypropan-1-ol.

Molecular Properties

Compound Name3-[1-(aminomethyl)-2-methylsulfonylcyclopentyl]oxypropan-1-ol
PubChem CID103377338
Molecular FormulaC10H21NO4S
Molecular Weight251.35 g/mol
Exact Mass251.12
IUPAC Name3-[1-(aminomethyl)-2-methylsulfonylcyclopentyl]oxypropan-1-ol
SMILESCS(=O)(=O)C1CCCC1(CN)OCCCO
InChIInChI=1S/C10H21NO4S/c1-16(13,14)9-4-2-5-10(9,8-11)15-7-3-6-12/h9,12H,2-8,11H2,1H3
InChIKeyPNIVSLYTERURPL-UHFFFAOYSA-N
XLogP-0.32
TPSA89.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.35
LogP ≤ 5-0.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[1-(aminomethyl)-2-methoxycyclohexyl]oxypropan-1-ol
CID 106874712
1-(aminomethyl)-2-methylsulfonylcyclopentan-1-amine
CID 65045771
[2-(aminomethyl)-7-methylsulfonylspiro[2.4]heptan-2-yl]methanol
CID 65050172
1-(aminomethyl)-N-(2-methoxyethyl)-2-methylsulfonylcyclopentan-1-amine
CID 65044744
1-(2-aminoethyl)-2-methylsulfonylcyclopentan-1-ol
CID 79125934
1-(aminomethyl)-N-methyl-2-methylsulfonyl-N-propan-2-ylcyclopentan-1-amine
CID 65045921
2-[1-(1-aminoethyl)-2-methylsulfonylcyclopentyl]ethanol
CID 66092167
2-[1-(aminomethyl)-2-tert-butylcyclohexyl]oxyethanol
CID 103376889
2-[1-(aminomethyl)-2-methylcyclobutyl]oxyethanol
CID 130555490
N-[1-(aminomethyl)-2-methylsulfonylcyclopentyl]-N-methylcycloheptanamine
CID 65045669
4-[1-(aminomethyl)-3-methylcyclohexyl]oxybutan-1-ol
CID 65052251
[1-(2-methoxyethylamino)-2-methylsulfonylcyclopentyl]methanol
CID 65049891

Frequently Asked Questions

What is the IUPAC name of 3-[1-(aminomethyl)-2-methylsulfonylcyclopentyl]oxypropan-1-ol?
The IUPAC name of 3-[1-(aminomethyl)-2-methylsulfonylcyclopentyl]oxypropan-1-ol (CID 103377338) is 3-[1-(aminomethyl)-2-methylsulfonylcyclopentyl]oxypropan-1-ol.
What is the SMILES notation for 3-[1-(aminomethyl)-2-methylsulfonylcyclopentyl]oxypropan-1-ol?
The canonical SMILES for 3-[1-(aminomethyl)-2-methylsulfonylcyclopentyl]oxypropan-1-ol is CS(=O)(=O)C1CCCC1(CN)OCCCO.
What is the InChIKey of 3-[1-(aminomethyl)-2-methylsulfonylcyclopentyl]oxypropan-1-ol?
The InChIKey is PNIVSLYTERURPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO4S/c1-16(13,14)9-4-2-5-10(9,8-11)15-7-3-6-12/h9,12H,2-8,11H2,1H3.
What are the key properties of 3-[1-(aminomethyl)-2-methylsulfonylcyclopentyl]oxypropan-1-ol?
3-[1-(aminomethyl)-2-methylsulfonylcyclopentyl]oxypropan-1-ol has a molecular weight of 251.35 g/mol, XLogP of -0.32, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(aminomethyl)-2-methylsulfonylcyclopentyl]oxypropan-1-ol is sourced from PubChem (CID 103377338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).