2-(cyclopropylamino)-4-(furan-2-ylmethylsulfanyl)-2-methylbutan-1-ol

C13H21NO2S — CID 64821265

IUPAC2-(cyclopropylamino)-4-(furan-2-ylmethylsulfanyl)-2-methylbutan-1-ol
SMILESCC(CO)(CCSCc1ccco1)NC1CC1
InChIInChI=1S/C13H21NO2S/c1-13(10-15,14-11-4-5-11)6-8-17-9-12-3-2-7-16-12/h2-3,7,11,14-15H,4-6,8-10H2,1H3
InChIKeyYVJHGADTSAZMDW-UHFFFAOYSA-N
MW255.38 g/mol
LogP2.41
Rot. Bonds8

About 2-(cyclopropylamino)-4-(furan-2-ylmethylsulfanyl)-2-methylbutan-1-ol

2-(cyclopropylamino)-4-(furan-2-ylmethylsulfanyl)-2-methylbutan-1-ol (PubChem CID 64821265) has the molecular formula C13H21NO2S and a molecular weight of 255.38 g/mol. Its IUPAC name is 2-(cyclopropylamino)-4-(furan-2-ylmethylsulfanyl)-2-methylbutan-1-ol.

Molecular Properties

Compound Name2-(cyclopropylamino)-4-(furan-2-ylmethylsulfanyl)-2-methylbutan-1-ol
PubChem CID64821265
Molecular FormulaC13H21NO2S
Molecular Weight255.38 g/mol
Exact Mass255.13
IUPAC Name2-(cyclopropylamino)-4-(furan-2-ylmethylsulfanyl)-2-methylbutan-1-ol
SMILESCC(CO)(CCSCc1ccco1)NC1CC1
InChIInChI=1S/C13H21NO2S/c1-13(10-15,14-11-4-5-11)6-8-17-9-12-3-2-7-16-12/h2-3,7,11,14-15H,4-6,8-10H2,1H3
InChIKeyYVJHGADTSAZMDW-UHFFFAOYSA-N
XLogP2.41
TPSA45.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.38
LogP ≤ 52.41
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

N-[2-(furan-2-ylmethylsulfanyl)ethyl]cyclopentanamine
CID 60663449
N-[2-(furan-2-ylmethylsulfanyl)ethyl]-3,3-dimethylbutan-1-amine
CID 60690765
4-[2-(furan-2-ylmethylsulfanyl)ethyl]piperidine
CID 71778043
1-cyclopropyl-N-[2-(furan-2-ylmethylsulfanyl)ethyl]ethanamine
CID 62579053
2-(cyclopropylamino)-2-methyl-5-[(3-methylphenyl)methylsulfanyl]pentan-1-ol
CID 64808398
2-cyclopropyl-2-(ethylamino)-3-(furan-2-ylmethylsulfanyl)propan-1-ol
CID 64820378
N-[2-(furan-2-ylmethylsulfanyl)ethyl]oxan-4-amine
CID 63098847
ethyl 2-(cyclopropylamino)-4-(furan-2-ylmethylsulfanyl)butanoate
CID 63033737
2-(furan-2-ylmethylsulfanyl)-N-(4-methylcyclohexyl)acetamide
CID 112780850
2-(cyclopropylmethylsulfanylmethyl)furan
CID 131208712
4-(furan-2-ylmethylsulfanyl)butan-2-amine
CID 64611326
2-(cyclopropylamino)-4-(3-methoxyphenyl)sulfanyl-2-methylbutan-1-ol
CID 64807612

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-4-(furan-2-ylmethylsulfanyl)-2-methylbutan-1-ol?
The IUPAC name of 2-(cyclopropylamino)-4-(furan-2-ylmethylsulfanyl)-2-methylbutan-1-ol (CID 64821265) is 2-(cyclopropylamino)-4-(furan-2-ylmethylsulfanyl)-2-methylbutan-1-ol.
What is the SMILES notation for 2-(cyclopropylamino)-4-(furan-2-ylmethylsulfanyl)-2-methylbutan-1-ol?
The canonical SMILES for 2-(cyclopropylamino)-4-(furan-2-ylmethylsulfanyl)-2-methylbutan-1-ol is CC(CO)(CCSCc1ccco1)NC1CC1.
What is the InChIKey of 2-(cyclopropylamino)-4-(furan-2-ylmethylsulfanyl)-2-methylbutan-1-ol?
The InChIKey is YVJHGADTSAZMDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2S/c1-13(10-15,14-11-4-5-11)6-8-17-9-12-3-2-7-16-12/h2-3,7,11,14-15H,4-6,8-10H2,1H3.
What are the key properties of 2-(cyclopropylamino)-4-(furan-2-ylmethylsulfanyl)-2-methylbutan-1-ol?
2-(cyclopropylamino)-4-(furan-2-ylmethylsulfanyl)-2-methylbutan-1-ol has a molecular weight of 255.38 g/mol, XLogP of 2.41, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-4-(furan-2-ylmethylsulfanyl)-2-methylbutan-1-ol is sourced from PubChem (CID 64821265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).