N-[4-(furan-2-yl)butan-2-yl]-2-methylthiolan-3-amine

C13H21NOS — CID 102671262

IUPACN-[4-(furan-2-yl)butan-2-yl]-2-methylthiolan-3-amine
SMILESCC(CCc1ccco1)NC1CCSC1C
InChIInChI=1S/C13H21NOS/c1-10(5-6-12-4-3-8-15-12)14-13-7-9-16-11(13)2/h3-4,8,10-11,13-14H,5-7,9H2,1-2H3
InChIKeyQHUOBLGKAONZQH-UHFFFAOYSA-N
MW239.38 g/mol
LogP3.08
Rot. Bonds5

About N-[4-(furan-2-yl)butan-2-yl]-2-methylthiolan-3-amine

N-[4-(furan-2-yl)butan-2-yl]-2-methylthiolan-3-amine (PubChem CID 102671262) has the molecular formula C13H21NOS and a molecular weight of 239.38 g/mol. Its IUPAC name is N-[4-(furan-2-yl)butan-2-yl]-2-methylthiolan-3-amine.

Molecular Properties

Compound NameN-[4-(furan-2-yl)butan-2-yl]-2-methylthiolan-3-amine
PubChem CID102671262
Molecular FormulaC13H21NOS
Molecular Weight239.38 g/mol
Exact Mass239.13
IUPAC NameN-[4-(furan-2-yl)butan-2-yl]-2-methylthiolan-3-amine
SMILESCC(CCc1ccco1)NC1CCSC1C
InChIInChI=1S/C13H21NOS/c1-10(5-6-12-4-3-8-15-12)14-13-7-9-16-11(13)2/h3-4,8,10-11,13-14H,5-7,9H2,1-2H3
InChIKeyQHUOBLGKAONZQH-UHFFFAOYSA-N
XLogP3.08
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.38
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(furan-2-yl)ethyl]-2-methylthiolan-3-amine
CID 102671359
N-[2-(furan-2-yl)ethyl]-2-methylthian-3-amine
CID 79957454
1-[4-[4-(furan-2-yl)butan-2-ylamino]piperidin-1-yl]ethanone
CID 43224097
N-[4-(furan-2-yl)butan-2-yl]oxan-3-amine
CID 63360149
N-[4-(furan-2-yl)butan-2-yl]-3-methoxycyclobutan-1-amine
CID 104584627
8-fluoro-N-[4-(furan-2-yl)butan-2-yl]-3,4-dihydro-2H-thiochromen-4-amine
CID 43769833
N-[3-(furan-2-ylmethoxy)propyl]-2-methylthiolan-3-amine
CID 102671412
4-ethyl-N-[4-(furan-2-yl)butan-2-yl]cycloheptan-1-amine
CID 65082213
1-ethylsulfonyl-N-[4-(furan-2-yl)butan-2-yl]piperidin-4-amine
CID 43478927
4-(furan-2-yl)-N-[(2-methylcyclohexyl)methyl]butan-2-amine
CID 55013434
(2R,3S)-2-(1,5-dimethylpyrazol-4-yl)-N-[(2S)-4-(furan-2-yl)butan-2-yl]oxolan-3-amine
CID 129341563
N-but-2-ynyl-4-(furan-2-yl)butan-2-amine
CID 62311547

Frequently Asked Questions

What is the IUPAC name of N-[4-(furan-2-yl)butan-2-yl]-2-methylthiolan-3-amine?
The IUPAC name of N-[4-(furan-2-yl)butan-2-yl]-2-methylthiolan-3-amine (CID 102671262) is N-[4-(furan-2-yl)butan-2-yl]-2-methylthiolan-3-amine.
What is the SMILES notation for N-[4-(furan-2-yl)butan-2-yl]-2-methylthiolan-3-amine?
The canonical SMILES for N-[4-(furan-2-yl)butan-2-yl]-2-methylthiolan-3-amine is CC(CCc1ccco1)NC1CCSC1C.
What is the InChIKey of N-[4-(furan-2-yl)butan-2-yl]-2-methylthiolan-3-amine?
The InChIKey is QHUOBLGKAONZQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NOS/c1-10(5-6-12-4-3-8-15-12)14-13-7-9-16-11(13)2/h3-4,8,10-11,13-14H,5-7,9H2,1-2H3.
What are the key properties of N-[4-(furan-2-yl)butan-2-yl]-2-methylthiolan-3-amine?
N-[4-(furan-2-yl)butan-2-yl]-2-methylthiolan-3-amine has a molecular weight of 239.38 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(furan-2-yl)butan-2-yl]-2-methylthiolan-3-amine is sourced from PubChem (CID 102671262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).