(3S)-3-amino-N-(2-methoxyethyl)pyrrolidine-1-sulfonamide

C7H17N3O3S — CID 104978713

IUPAC(3S)-3-amino-N-(2-methoxyethyl)pyrrolidine-1-sulfonamide
SMILESCOCCNS(=O)(=O)N1CC[C@H](N)C1
InChIInChI=1S/C7H17N3O3S/c1-13-5-3-9-14(11,12)10-4-2-7(8)6-10/h7,9H,2-6,8H2,1H3/t7-/m0/s1
InChIKeyAALYOGULRWFBPK-ZETCQYMHSA-N
MW223.30 g/mol
LogP-1.50
Rot. Bonds5

About (3S)-3-amino-N-(2-methoxyethyl)pyrrolidine-1-sulfonamide

(3S)-3-amino-N-(2-methoxyethyl)pyrrolidine-1-sulfonamide (PubChem CID 104978713) has the molecular formula C7H17N3O3S and a molecular weight of 223.30 g/mol. Its IUPAC name is (3S)-3-amino-N-(2-methoxyethyl)pyrrolidine-1-sulfonamide.

Molecular Properties

Compound Name(3S)-3-amino-N-(2-methoxyethyl)pyrrolidine-1-sulfonamide
PubChem CID104978713
Molecular FormulaC7H17N3O3S
Molecular Weight223.30 g/mol
Exact Mass223.10
IUPAC Name(3S)-3-amino-N-(2-methoxyethyl)pyrrolidine-1-sulfonamide
SMILESCOCCNS(=O)(=O)N1CC[C@H](N)C1
InChIInChI=1S/C7H17N3O3S/c1-13-5-3-9-14(11,12)10-4-2-7(8)6-10/h7,9H,2-6,8H2,1H3/t7-/m0/s1
InChIKeyAALYOGULRWFBPK-ZETCQYMHSA-N
XLogP-1.50
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.30
LogP ≤ 5-1.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(2-Methoxyethyl)pyrrolidin-3-amine
CID 20800284
(S)-1-(2-Methoxyethyl)pyrrolidin-3-amine
CID 10796871
(R)-1-(2-Methoxyethyl)pyrrolidin-3-amine
CID 51663645
N-(2-methoxyethyl)pyrrolidin-3-amine
CID 53415189
N-(2-methoxyethyl)pyrrolidine-1-sulfonamide
CID 60724649
(3R)-N-(2-methoxyethyl)pyrrolidin-3-amine
CID 123252032
2-(4-Methoxybutyl)-1,2,5-thiadiazolidine 1,1-dioxide
CID 173224039
2-(4-Methoxybutan-2-yl)-1,2,5-thiadiazolidine 1,1-dioxide
CID 173226597
(4S)-3-(dipropylsulfamoylamino)-4-methoxypyrrolidine
CID 43597165
(4S)-3-(dimethylsulfamoylamino)-4-methoxypyrrolidine
CID 43597188
(4S)-3-(diethylsulfamoylamino)-4-methoxypyrrolidine
CID 43597190
(4S)-3-[[butyl(methyl)sulfamoyl]amino]-4-methoxypyrrolidine
CID 43597218

Frequently Asked Questions

What is the IUPAC name of (3S)-3-amino-N-(2-methoxyethyl)pyrrolidine-1-sulfonamide?
The IUPAC name of (3S)-3-amino-N-(2-methoxyethyl)pyrrolidine-1-sulfonamide (CID 104978713) is (3S)-3-amino-N-(2-methoxyethyl)pyrrolidine-1-sulfonamide.
What is the SMILES notation for (3S)-3-amino-N-(2-methoxyethyl)pyrrolidine-1-sulfonamide?
The canonical SMILES for (3S)-3-amino-N-(2-methoxyethyl)pyrrolidine-1-sulfonamide is COCCNS(=O)(=O)N1CC[C@H](N)C1.
What is the InChIKey of (3S)-3-amino-N-(2-methoxyethyl)pyrrolidine-1-sulfonamide?
The InChIKey is AALYOGULRWFBPK-ZETCQYMHSA-N. The full InChI is InChI=1S/C7H17N3O3S/c1-13-5-3-9-14(11,12)10-4-2-7(8)6-10/h7,9H,2-6,8H2,1H3/t7-/m0/s1.
What are the key properties of (3S)-3-amino-N-(2-methoxyethyl)pyrrolidine-1-sulfonamide?
(3S)-3-amino-N-(2-methoxyethyl)pyrrolidine-1-sulfonamide has a molecular weight of 223.30 g/mol, XLogP of -1.50, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-amino-N-(2-methoxyethyl)pyrrolidine-1-sulfonamide is sourced from PubChem (CID 104978713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).