N-ethyl-2-methyl-1-(thiolan-3-yl)propan-1-amine

C10H21NS — CID 105078063

IUPACN-ethyl-2-methyl-1-(thiolan-3-yl)propan-1-amine
SMILESCCNC(C(C)C)C1CCSC1
InChIInChI=1S/C10H21NS/c1-4-11-10(8(2)3)9-5-6-12-7-9/h8-11H,4-7H2,1-3H3
InChIKeyFDTRUTOUOALOKJ-UHFFFAOYSA-N
MW187.35 g/mol
LogP2.37
Rot. Bonds4

About N-ethyl-2-methyl-1-(thiolan-3-yl)propan-1-amine

N-ethyl-2-methyl-1-(thiolan-3-yl)propan-1-amine (PubChem CID 105078063) has the molecular formula C10H21NS and a molecular weight of 187.35 g/mol. Its IUPAC name is N-ethyl-2-methyl-1-(thiolan-3-yl)propan-1-amine.

Molecular Properties

Compound NameN-ethyl-2-methyl-1-(thiolan-3-yl)propan-1-amine
PubChem CID105078063
Molecular FormulaC10H21NS
Molecular Weight187.35 g/mol
Exact Mass187.14
IUPAC NameN-ethyl-2-methyl-1-(thiolan-3-yl)propan-1-amine
SMILESCCNC(C(C)C)C1CCSC1
InChIInChI=1S/C10H21NS/c1-4-11-10(8(2)3)9-5-6-12-7-9/h8-11H,4-7H2,1-3H3
InChIKeyFDTRUTOUOALOKJ-UHFFFAOYSA-N
XLogP2.37
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.35
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-methylcyclohexyl)-(thiolan-3-yl)methyl]ethanamine
CID 105153759
N-ethyl-1-(thiolan-3-yl)prop-2-yn-1-amine
CID 105158299
2-(ethylamino)-2-(thiolan-3-yl)acetonitrile
CID 107132908
N-[1-(thiolan-3-yl)ethyl]propan-1-amine
CID 105081992
2-(ethylamino)-2-(thiolan-3-yl)acetic acid
CID 107132983
2-(ethylamino)-2-(thiolan-3-yl)acetamide
CID 107132951
1-cyclopropyl-N-(1,4-dithian-2-ylmethyl)-2-methylpropan-1-amine
CID 115727439
N-[(3-ethylcyclohexyl)-(thiolan-3-yl)methyl]ethanamine
CID 105156124
N-ethyl-1-(4-ethylcycloheptyl)-2-methylpropan-1-amine
CID 79298525
N-ethyl-2-methyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)propan-1-amine
CID 79914163
N-ethyl-3-methylsulfonyl-1-(thiolan-3-yl)propan-1-amine
CID 114984200
3-(1-bromopropan-2-yl)thiolane
CID 165442425

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-methyl-1-(thiolan-3-yl)propan-1-amine?
The IUPAC name of N-ethyl-2-methyl-1-(thiolan-3-yl)propan-1-amine (CID 105078063) is N-ethyl-2-methyl-1-(thiolan-3-yl)propan-1-amine.
What is the SMILES notation for N-ethyl-2-methyl-1-(thiolan-3-yl)propan-1-amine?
The canonical SMILES for N-ethyl-2-methyl-1-(thiolan-3-yl)propan-1-amine is CCNC(C(C)C)C1CCSC1.
What is the InChIKey of N-ethyl-2-methyl-1-(thiolan-3-yl)propan-1-amine?
The InChIKey is FDTRUTOUOALOKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NS/c1-4-11-10(8(2)3)9-5-6-12-7-9/h8-11H,4-7H2,1-3H3.
What are the key properties of N-ethyl-2-methyl-1-(thiolan-3-yl)propan-1-amine?
N-ethyl-2-methyl-1-(thiolan-3-yl)propan-1-amine has a molecular weight of 187.35 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-methyl-1-(thiolan-3-yl)propan-1-amine is sourced from PubChem (CID 105078063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).