N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-(propan-2-ylamino)butane-1-sulfonamide

C10H20N4O2S2 — CID 106082732

IUPACN-(5-methyl-1,3,4-thiadiazol-2-yl)-4-(propan-2-ylamino)butane-1-sulfonamide
SMILESCc1nnc(NS(=O)(=O)CCCCNC(C)C)s1
InChIInChI=1S/C10H20N4O2S2/c1-8(2)11-6-4-5-7-18(15,16)14-10-13-12-9(3)17-10/h8,11H,4-7H2,1-3H3,(H,13,14)
InChIKeyYBVYLLDDFFNMJW-UHFFFAOYSA-N
MW292.43 g/mol
LogP1.37
Rot. Bonds8

About N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-(propan-2-ylamino)butane-1-sulfonamide

N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-(propan-2-ylamino)butane-1-sulfonamide (PubChem CID 106082732) has the molecular formula C10H20N4O2S2 and a molecular weight of 292.43 g/mol. Its IUPAC name is N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-(propan-2-ylamino)butane-1-sulfonamide.

Molecular Properties

Compound NameN-(5-methyl-1,3,4-thiadiazol-2-yl)-4-(propan-2-ylamino)butane-1-sulfonamide
PubChem CID106082732
Molecular FormulaC10H20N4O2S2
Molecular Weight292.43 g/mol
Exact Mass292.10
IUPAC NameN-(5-methyl-1,3,4-thiadiazol-2-yl)-4-(propan-2-ylamino)butane-1-sulfonamide
SMILESCc1nnc(NS(=O)(=O)CCCCNC(C)C)s1
InChIInChI=1S/C10H20N4O2S2/c1-8(2)11-6-4-5-7-18(15,16)14-10-13-12-9(3)17-10/h8,11H,4-7H2,1-3H3,(H,13,14)
InChIKeyYBVYLLDDFFNMJW-UHFFFAOYSA-N
XLogP1.37
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-(propan-2-ylamino)-N-(1,3-thiazol-2-yl)butane-1-sulfonamide
CID 106031673
N-(5,6-dimethyl-1,2,4-triazin-3-yl)-4-(propan-2-ylamino)butane-1-sulfonamide
CID 106082965
N-(2-methyl-3-pyridinyl)-4-(propan-2-ylamino)butane-1-sulfonamide
CID 106070211
N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-(propan-2-ylamino)ethanesulfonamide
CID 54972708
N-(2-bromo-4-methylphenyl)-4-(propan-2-ylamino)butane-1-sulfonamide
CID 106042677
N-(4-bromo-3,5-dimethylphenyl)-3-(propan-2-ylamino)propane-1-sulfonamide
CID 107575659
N-(2-methylphenyl)-3-(propan-2-ylamino)propane-1-sulfonamide
CID 54974110
6-methylsulfonyl-N-propan-2-ylhexan-1-amine
CID 64505621
N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-4-(propan-2-ylamino)butane-1-sulfonamide
CID 106423667
N-(2,5-dichlorophenyl)-4-(propan-2-ylamino)butane-1-sulfonamide
CID 106037094
N-(1,3-dimethylpyrazol-4-yl)-3-(propan-2-ylamino)propane-1-sulfonamide
CID 102806224
1-[4-(aminomethyl)phenyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)methanesulfonamide
CID 106082808

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-(propan-2-ylamino)butane-1-sulfonamide?
The IUPAC name of N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-(propan-2-ylamino)butane-1-sulfonamide (CID 106082732) is N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-(propan-2-ylamino)butane-1-sulfonamide.
What is the SMILES notation for N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-(propan-2-ylamino)butane-1-sulfonamide?
The canonical SMILES for N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-(propan-2-ylamino)butane-1-sulfonamide is Cc1nnc(NS(=O)(=O)CCCCNC(C)C)s1.
What is the InChIKey of N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-(propan-2-ylamino)butane-1-sulfonamide?
The InChIKey is YBVYLLDDFFNMJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4O2S2/c1-8(2)11-6-4-5-7-18(15,16)14-10-13-12-9(3)17-10/h8,11H,4-7H2,1-3H3,(H,13,14).
What are the key properties of N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-(propan-2-ylamino)butane-1-sulfonamide?
N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-(propan-2-ylamino)butane-1-sulfonamide has a molecular weight of 292.43 g/mol, XLogP of 1.37, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-(propan-2-ylamino)butane-1-sulfonamide is sourced from PubChem (CID 106082732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).