(1S,2S)-1-(furan-2-yl)-N,2-dimethyl-3-methylsulfonylpropan-1-amine

C10H17NO3S — CID 90141020

IUPAC(1S,2S)-1-(furan-2-yl)-N,2-dimethyl-3-methylsulfonylpropan-1-amine
SMILESCN[C@H](c1ccco1)[C@H](C)CS(C)(=O)=O
InChIInChI=1S/C10H17NO3S/c1-8(7-15(3,12)13)10(11-2)9-5-4-6-14-9/h4-6,8,10-11H,7H2,1-3H3/t8-,10+/m1/s1
InChIKeyYCGAROAUEMJMHW-SCZZXKLOSA-N
MW231.32 g/mol
LogP1.22
Rot. Bonds5

About (1S,2S)-1-(furan-2-yl)-N,2-dimethyl-3-methylsulfonylpropan-1-amine

(1S,2S)-1-(furan-2-yl)-N,2-dimethyl-3-methylsulfonylpropan-1-amine (PubChem CID 90141020) has the molecular formula C10H17NO3S and a molecular weight of 231.32 g/mol. Its IUPAC name is (1S,2S)-1-(furan-2-yl)-N,2-dimethyl-3-methylsulfonylpropan-1-amine.

Molecular Properties

Compound Name(1S,2S)-1-(furan-2-yl)-N,2-dimethyl-3-methylsulfonylpropan-1-amine
PubChem CID90141020
Molecular FormulaC10H17NO3S
Molecular Weight231.32 g/mol
Exact Mass231.09
IUPAC Name(1S,2S)-1-(furan-2-yl)-N,2-dimethyl-3-methylsulfonylpropan-1-amine
SMILESCN[C@H](c1ccco1)[C@H](C)CS(C)(=O)=O
InChIInChI=1S/C10H17NO3S/c1-8(7-15(3,12)13)10(11-2)9-5-4-6-14-9/h4-6,8,10-11H,7H2,1-3H3/t8-,10+/m1/s1
InChIKeyYCGAROAUEMJMHW-SCZZXKLOSA-N
XLogP1.22
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.32
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(furan-2-yl)ethyl]-1-methylsulfonylpropan-2-amine
CID 64630530
2-(furan-2-yl)-3-methylsulfonylpropan-1-amine
CID 102567549
N-[furan-2-yl(phenyl)methyl]-1-methylsulfonylpropan-2-amine
CID 64629529
(2S)-1-ethylsulfonyl-N-[(1R)-1-(furan-2-yl)ethyl]propan-2-amine
CID 97070512
N-[(1R)-1-(furan-2-yl)ethyl]ethanesulfonamide
CID 81400303
(1S,2R)-3-[tert-butyl(diphenyl)silyl]oxy-1-(furan-2-yl)-N,2-dimethylpropan-1-amine
CID 86718373
N-[(E)-3-(furan-2-yl)prop-2-enyl]-1-methylsulfonylpropan-2-amine
CID 115866039
4-(ethylamino)-N-[1-(furan-2-yl)ethyl]benzenesulfonamide
CID 62147659
1-(furan-2-yl)-N-methyl-3-propan-2-yloxypropan-1-amine
CID 114997379
4-(furan-2-yl)-N,5-dimethylhexan-2-amine
CID 44719969
2-[(2S)-1-(4-methylphenyl)sulfonylpropan-2-yl]furan
CID 134965233
1-(furan-2-yl)-2-methoxy-N,3,3-trimethylbutan-1-amine
CID 116724444

Frequently Asked Questions

What is the IUPAC name of (1S,2S)-1-(furan-2-yl)-N,2-dimethyl-3-methylsulfonylpropan-1-amine?
The IUPAC name of (1S,2S)-1-(furan-2-yl)-N,2-dimethyl-3-methylsulfonylpropan-1-amine (CID 90141020) is (1S,2S)-1-(furan-2-yl)-N,2-dimethyl-3-methylsulfonylpropan-1-amine.
What is the SMILES notation for (1S,2S)-1-(furan-2-yl)-N,2-dimethyl-3-methylsulfonylpropan-1-amine?
The canonical SMILES for (1S,2S)-1-(furan-2-yl)-N,2-dimethyl-3-methylsulfonylpropan-1-amine is CN[C@H](c1ccco1)[C@H](C)CS(C)(=O)=O.
What is the InChIKey of (1S,2S)-1-(furan-2-yl)-N,2-dimethyl-3-methylsulfonylpropan-1-amine?
The InChIKey is YCGAROAUEMJMHW-SCZZXKLOSA-N. The full InChI is InChI=1S/C10H17NO3S/c1-8(7-15(3,12)13)10(11-2)9-5-4-6-14-9/h4-6,8,10-11H,7H2,1-3H3/t8-,10+/m1/s1.
What are the key properties of (1S,2S)-1-(furan-2-yl)-N,2-dimethyl-3-methylsulfonylpropan-1-amine?
(1S,2S)-1-(furan-2-yl)-N,2-dimethyl-3-methylsulfonylpropan-1-amine has a molecular weight of 231.32 g/mol, XLogP of 1.22, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S)-1-(furan-2-yl)-N,2-dimethyl-3-methylsulfonylpropan-1-amine is sourced from PubChem (CID 90141020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).