N-[3-(cyclopropylamino)propyl]-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide

C10H17N3O3S2 — CID 43598635

IUPACN-[3-(cyclopropylamino)propyl]-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
SMILESCc1[nH]c(=O)sc1S(=O)(=O)NCCCNC1CC1
InChIInChI=1S/C10H17N3O3S2/c1-7-9(17-10(14)13-7)18(15,16)12-6-2-5-11-8-3-4-8/h8,11-12H,2-6H2,1H3,(H,13,14)
InChIKeySABYGUUXAQQGIV-UHFFFAOYSA-N
MW291.40 g/mol
LogP0.17
Rot. Bonds7

About N-[3-(cyclopropylamino)propyl]-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide

N-[3-(cyclopropylamino)propyl]-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide (PubChem CID 43598635) has the molecular formula C10H17N3O3S2 and a molecular weight of 291.40 g/mol. Its IUPAC name is N-[3-(cyclopropylamino)propyl]-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound NameN-[3-(cyclopropylamino)propyl]-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
PubChem CID43598635
Molecular FormulaC10H17N3O3S2
Molecular Weight291.40 g/mol
Exact Mass291.07
IUPAC NameN-[3-(cyclopropylamino)propyl]-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
SMILESCc1[nH]c(=O)sc1S(=O)(=O)NCCCNC1CC1
InChIInChI=1S/C10H17N3O3S2/c1-7-9(17-10(14)13-7)18(15,16)12-6-2-5-11-8-3-4-8/h8,11-12H,2-6H2,1H3,(H,13,14)
InChIKeySABYGUUXAQQGIV-UHFFFAOYSA-N
XLogP0.17
TPSA91.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 50.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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 N-[3-(cyclopropylamino)propyl]-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide?
The IUPAC name of N-[3-(cyclopropylamino)propyl]-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide (CID 43598635) is N-[3-(cyclopropylamino)propyl]-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for N-[3-(cyclopropylamino)propyl]-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide?
The canonical SMILES for N-[3-(cyclopropylamino)propyl]-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide is Cc1[nH]c(=O)sc1S(=O)(=O)NCCCNC1CC1.
What is the InChIKey of N-[3-(cyclopropylamino)propyl]-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide?
The InChIKey is SABYGUUXAQQGIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O3S2/c1-7-9(17-10(14)13-7)18(15,16)12-6-2-5-11-8-3-4-8/h8,11-12H,2-6H2,1H3,(H,13,14).
What are the key properties of N-[3-(cyclopropylamino)propyl]-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide?
N-[3-(cyclopropylamino)propyl]-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide has a molecular weight of 291.40 g/mol, XLogP of 0.17, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(cyclopropylamino)propyl]-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 43598635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).