sodium (2-morpholin-4-ylcyclopentyl)methanesulfonate

C10H18NNaO4S — CID 175781720

IUPACsodium (2-morpholin-4-ylcyclopentyl)methanesulfonate
SMILESO=S(=O)([O-])CC1CCCC1N1CCOCC1.[Na+]
InChIInChI=1S/C10H19NO4S.Na/c12-16(13,14)8-9-2-1-3-10(9)11-4-6-15-7-5-11;/h9-10H,1-8H2,(H,12,13,14);/q;+1/p-1
InChIKeyPNNGYVXCFYRGQQ-UHFFFAOYSA-M
MW271.31 g/mol
LogP-2.96
Rot. Bonds3

About sodium (2-morpholin-4-ylcyclopentyl)methanesulfonate

sodium (2-morpholin-4-ylcyclopentyl)methanesulfonate (PubChem CID 175781720) has the molecular formula C10H18NNaO4S and a molecular weight of 271.31 g/mol. Its IUPAC name is sodium (2-morpholin-4-ylcyclopentyl)methanesulfonate.

Molecular Properties

Compound Namesodium (2-morpholin-4-ylcyclopentyl)methanesulfonate
PubChem CID175781720
Molecular FormulaC10H18NNaO4S
Molecular Weight271.31 g/mol
Exact Mass271.09
IUPAC Namesodium (2-morpholin-4-ylcyclopentyl)methanesulfonate
SMILESO=S(=O)([O-])CC1CCCC1N1CCOCC1.[Na+]
InChIInChI=1S/C10H19NO4S.Na/c12-16(13,14)8-9-2-1-3-10(9)11-4-6-15-7-5-11;/h9-10H,1-8H2,(H,12,13,14);/q;+1/p-1
InChIKeyPNNGYVXCFYRGQQ-UHFFFAOYSA-M
XLogP-2.96
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.31
LogP ≤ 5-2.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

3-(2-morpholin-4-ylcyclohexyl)propanenitrile
CID 13398809
N-[[(1S,2S)-2-morpholin-4-ylcyclohexyl]methyl]-1H-imidazole-2-sulfonamide
CID 136585214
[2-(3-morpholin-4-ylpyrrolidin-1-yl)cyclopentyl]methanamine
CID 63171645
4-(2-piperazin-1-ylcyclopentyl)morpholine
CID 121209586
(2-morpholin-4-ylcyclobutyl)methanamine
CID 80998654
[(1S,2S)-2-morpholin-4-ylcyclohexyl] methanesulfonate
CID 16738423
1-ethyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine
CID 20980731
2-(1,4-oxazepan-4-yl)cyclohexan-1-amine
CID 62987288
trans-(1R,2R)-2-morpholin-4-ylcyclobutan-1-amine
CID 130926079
ethyl 2-morpholin-4-ylcyclopentane-1-carboxylate
CID 156806223
(1S)-1-[(1R,2S)-2-morpholin-4-ylcyclopentyl]ethanol
CID 11896394
4-chloro-N-[(1S,2R)-2-morpholin-4-ylcyclohexyl]benzenesulfonamide
CID 1167612

Frequently Asked Questions

What is the IUPAC name of sodium (2-morpholin-4-ylcyclopentyl)methanesulfonate?
The IUPAC name of sodium (2-morpholin-4-ylcyclopentyl)methanesulfonate (CID 175781720) is sodium (2-morpholin-4-ylcyclopentyl)methanesulfonate.
What is the SMILES notation for sodium (2-morpholin-4-ylcyclopentyl)methanesulfonate?
The canonical SMILES for sodium (2-morpholin-4-ylcyclopentyl)methanesulfonate is O=S(=O)([O-])CC1CCCC1N1CCOCC1.[Na+].
What is the InChIKey of sodium (2-morpholin-4-ylcyclopentyl)methanesulfonate?
The InChIKey is PNNGYVXCFYRGQQ-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H19NO4S.Na/c12-16(13,14)8-9-2-1-3-10(9)11-4-6-15-7-5-11;/h9-10H,1-8H2,(H,12,13,14);/q;+1/p-1.
What are the key properties of sodium (2-morpholin-4-ylcyclopentyl)methanesulfonate?
sodium (2-morpholin-4-ylcyclopentyl)methanesulfonate has a molecular weight of 271.31 g/mol, XLogP of -2.96, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for sodium (2-morpholin-4-ylcyclopentyl)methanesulfonate is sourced from PubChem (CID 175781720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).