(3S)-N-(2-methoxyethylsulfamoyl)pyrrolidin-3-amine

C7H17N3O3S — CID 104978709

IUPAC(3S)-N-(2-methoxyethylsulfamoyl)pyrrolidin-3-amine
SMILESCOCCNS(=O)(=O)N[C@H]1CCNC1
InChIInChI=1S/C7H17N3O3S/c1-13-5-4-9-14(11,12)10-7-2-3-8-6-7/h7-10H,2-6H2,1H3/t7-/m0/s1
InChIKeyOYEHSVVEKVFGBH-ZETCQYMHSA-N
MW223.30 g/mol
LogP-1.58
Rot. Bonds6

About (3S)-N-(2-methoxyethylsulfamoyl)pyrrolidin-3-amine

(3S)-N-(2-methoxyethylsulfamoyl)pyrrolidin-3-amine (PubChem CID 104978709) has the molecular formula C7H17N3O3S and a molecular weight of 223.30 g/mol. Its IUPAC name is (3S)-N-(2-methoxyethylsulfamoyl)pyrrolidin-3-amine.

Molecular Properties

Compound Name(3S)-N-(2-methoxyethylsulfamoyl)pyrrolidin-3-amine
PubChem CID104978709
Molecular FormulaC7H17N3O3S
Molecular Weight223.30 g/mol
Exact Mass223.10
IUPAC Name(3S)-N-(2-methoxyethylsulfamoyl)pyrrolidin-3-amine
SMILESCOCCNS(=O)(=O)N[C@H]1CCNC1
InChIInChI=1S/C7H17N3O3S/c1-13-5-4-9-14(11,12)10-7-2-3-8-6-7/h7-10H,2-6H2,1H3/t7-/m0/s1
InChIKeyOYEHSVVEKVFGBH-ZETCQYMHSA-N
XLogP-1.58
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.30
LogP ≤ 5-1.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2S,4S)-4-fluoro-N-(2-methoxyethyl)-N-methyl-2-(methylaminomethyl)pyrrolidine-1-sulfonamide
CID 132399150
N-(2-methoxyethyl)pyrrolidin-3-amine
CID 53415189
N,N-dimethyl-3-(methylamino)pyrrolidine-1-sulfonamide
CID 59686760
N-(2-methoxyethyl)pyrrolidine-1-sulfonamide
CID 60724649
(3S)-N-(1-methoxypropan-2-yl)pyrrolidin-3-amine
CID 69557688
N-(1-methoxypropan-2-yl)pyrrolidin-3-amine
CID 77681357
(3R)-N-(2-methoxyethyl)pyrrolidin-3-amine
CID 123252032
2-(4-Methoxybutan-2-yl)-1,2,5-thiadiazolidine 1,1-dioxide
CID 173226597
(4S)-3-(dipropylsulfamoylamino)-4-methoxypyrrolidine
CID 43597165
N-[(4S)-4-methoxypyrrolidin-3-yl]pyrrolidine-1-sulfonamide
CID 43597182
(4S)-3-(dimethylsulfamoylamino)-4-methoxypyrrolidine
CID 43597188
(4S)-3-(diethylsulfamoylamino)-4-methoxypyrrolidine
CID 43597190

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(2-methoxyethylsulfamoyl)pyrrolidin-3-amine?
The IUPAC name of (3S)-N-(2-methoxyethylsulfamoyl)pyrrolidin-3-amine (CID 104978709) is (3S)-N-(2-methoxyethylsulfamoyl)pyrrolidin-3-amine.
What is the SMILES notation for (3S)-N-(2-methoxyethylsulfamoyl)pyrrolidin-3-amine?
The canonical SMILES for (3S)-N-(2-methoxyethylsulfamoyl)pyrrolidin-3-amine is COCCNS(=O)(=O)N[C@H]1CCNC1.
What is the InChIKey of (3S)-N-(2-methoxyethylsulfamoyl)pyrrolidin-3-amine?
The InChIKey is OYEHSVVEKVFGBH-ZETCQYMHSA-N. The full InChI is InChI=1S/C7H17N3O3S/c1-13-5-4-9-14(11,12)10-7-2-3-8-6-7/h7-10H,2-6H2,1H3/t7-/m0/s1.
What are the key properties of (3S)-N-(2-methoxyethylsulfamoyl)pyrrolidin-3-amine?
(3S)-N-(2-methoxyethylsulfamoyl)pyrrolidin-3-amine has a molecular weight of 223.30 g/mol, XLogP of -1.58, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(2-methoxyethylsulfamoyl)pyrrolidin-3-amine is sourced from PubChem (CID 104978709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).